5-Amino-1-ethyl-1H-1,2,3-triazole-4-carboxamide
Basic information
- CAS
99420-47-0- Standard SMILES
CCn1nnc(C(N)=O)c1N- InChIKey
YUJQDCRXBLWRAX-UHFFFAOYSA-N- Molecular formula
- C5H9N5O
- Average molar mass
- 155.16 g/mol
- Monoisotopic mass
- 155.08070993
Names & identifiers
- Preferred name
- 5-Amino-1-ethyl-1H-1,2,3-triazole-4-carboxamide
- IUPAC
- 5-amino-1-ethyltriazole-4-carboxamide
- English name
- 1H-1,2,3-Triazole-4-carboxamide,5-amino-1-ethyl-(6CI,9CI)
- Molecular formula
- C5H9N5O
- Molecular weight
- 155.16
Names & synonyms
5-Amino-1-ethyl-1H-1,2,3-triazole-4-carboxamide99420-47-0DTXSID00545007RefChem:300902DTXCID204957925-amino-1-ethyltriazole-4-carboxamideF2147-04265-amino-1-ethyl-1,2,3-triazole-4-carboxamideSMSSF-0533452AKOS0052069365-amino-1-ethyl-triazole-4-carboxamideEN300-236547
Show more names
1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-ethyl-1H-1,2,3-Triazole-4-carboxamide,5-amino-1-ethyl-(6CI,9CI)
F495627
Database identifiers
- CAS
99420-47-0- PubChem CID
- 13612142
- DTXSID
DTXSID00545007
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 204.9 °C · 204.9 °C
- Boiling point
- 387.6 · 387.6±45.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 14.34 · 14.34±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Compound notes
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