Basic information
- CAS
1033463-39-6- Standard SMILES
NC(=O)c1nnn(Cc2ccccn2)c1N- InChIKey
SMSPFHVYGOWNRF-UHFFFAOYSA-N- Molecular formula
- C9H10N6O
- Average molar mass
- 218.22 g/mol
- Monoisotopic mass
- 218.09160896
Names & identifiers
- Preferred name
- 5-amino-1-(2-pyridinylmethyl)-1H-1,2,3-triazole-4-carboxamide
- IUPAC
- 5-amino-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
- English name
- 5-amino-1-(2-pyridinylmethyl)-1H-1,2,3-triazole-4-carboxamide
- Molecular formula
- C9H10N6O
- Molecular weight
- 218.22
Names & synonyms
1033463-39-65-amino-1-(2-pyridinylmethyl)-1H-1,2,3-triazole-4-carboxamide5-Amino-1-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamideMFCD107580955-amino-1-(pyridin-2-ylmethyl)triazole-4-carboxamide5-amino-1-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamideDTXSID901183367SBB095583AKOS005072834CS-0440048H-201355-amino-1-(2-pyridylmethyl)triazole-4-carboxamide
Show more names
1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(2-pyridinylmethyl)-
5-amino-1-(2-pyridylmethyl)-1,2,3-triazole-4-carboxamide
Database identifiers
- CAS
1033463-39-6- PubChem CID
- 25919005
- DTXSID
DTXSID901183367
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 201 ° · 201°
- Boiling point
- 512.1 · 512.1±60.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 14.17 · 14.17±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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