Basic information
- CAS
92673-40-0- Standard SMILES
CCOC(=O)c1cnc2ncnn2c1N- InChIKey
WXSXMQHHGMMINY-UHFFFAOYSA-N- Molecular formula
- C8H9N5O2
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.07562455
Names & identifiers
- Preferred name
- Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
- English name
- Ethyl 7-amino[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
- Molecular formula
- C8H9N5O2
- Molecular weight
- 207.19
Names & synonyms
ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateethyl 7-amino-(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylateRefChem:595988840-736-792673-40-0ethyl 7-amino[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateMFCD05856881[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-7-imino-, ethyl esterMLS000675665CHEMBL1537674DTXSID20359587MEJFLOMRSPINDF-UHFFFAOYSA-N
Show more names
7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-amino-, ethyl ester
WXSXMQHHGMMINY-UHFFFAOYSA-NHMS2696J13ALBB-005483SBB013256STK501805AKOS001740227AKOS002815894LS-02032
Database identifiers
- CAS
92673-40-0- PubChem CID
- 974047
- DTXSID
DTXSID20359587
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
Solubility30.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 218 °C · 218 °C(Solv: water (7732-18-5))
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.31 · 1.31±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers14 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…