Basic information
- CAS
63666-11-5- Standard SMILES
CCOC(=O)c1nc(N)n[nH]1- InChIKey
MLVNUTAJXZZPCJ-UHFFFAOYSA-N- Molecular formula
- C5H8N4O2
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.06472551
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
- IUPAC
- ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate
- English name
- ethyl 5-amino-2H-1,2,4-triazole-3-carboxylate
- Molecular formula
- C5H8N4O2
- Molecular weight
- 156.14
Names & synonyms
63666-11-5Ethyl 5-amino-4H-[1,2,4]triazole-3-carboxylate1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl esterDTXSID3069980NSC 148474ETHYL 5-AMINO-4H-(1,2,4)TRIAZOLE-3-CARBOXYLATERefChem:437891DTXCID3044043948-305-6ethyl 5-amino-4h-1,2,4-triazole-3-carboxylateethyl 5-amino-1H-1,2,4-triazole-3-carboxylateethyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Show more names
Ribavirin Impurity 24ethyl 3-azanyl-1H-1,2,4-triazole-5-carboxylate3-amino-1H-1,2,4-triazole-5-carboxylic acid ethyl ester
Ethyl 5-Amino-1,2,4-triazole-3-carboxylate5-amino-4h-[1,2,4]triazole-3-carboxylic acid ethyl esterMFCD00186115ethyl 5-amino-2H-1,2,4-triazole-3-carboxylateMFCD00296922NSC148474Oprea1_319705Oprea1_551304
Database identifiers
- CAS
63666-11-5- PubChem CID
- 98568
- DTXSID
DTXSID3069980
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 242 · 242-243℃
- Boiling point
- 373.9 · 373.9±25.0 °C(Predicted)
- Density
- 1.408 · 1.408
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.92 · 8.92±0.40(Predicted)
- form
- solid
- color
- Off-white
- InChI
- InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9)
- InChIKey
- MLVNUTAJXZZPCJ-UHFFFAOYSA-N
- SMILES
- N1C(N)=NC(C(OCC)=O)=N1
- EPA Substance Registry System
- 1 H-1,2,4-Triazole-3-carboxylic · 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester (63666-11-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (50%)
Skin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester: INACTIVE
Suppliers59 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
天津英伦科技有限公司010-010-1234567 17526513758 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
上海华思格医药科技有限公司
Related reactions
2 records
Compound notes
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