Basic information
- CAS
4923-06-2- Standard SMILES
Nn1nc(-c2ccncc2)nc1-c1ccncc1- InChIKey
GHRXNZCWLXNGNG-UHFFFAOYSA-N- Molecular formula
- C12H10N6
- Average molar mass
- 238.25 g/mol
- Monoisotopic mass
- 238.09669434
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 1-amino-3,5-bis(4-pyridyl)-
- IUPAC
- 3,5-dipyridin-4-yl-1,2,4-triazol-1-amine
- English name
- 3,5-Di(4-pyridinyl)-1H-1,2,4-triazol-1-amine
- Molecular formula
- C12H10N6
- Molecular weight
- 238.25
Names & synonyms
1-Amino-3,5-bis(4-pyridyl)-1H-1,2,4-triazole4923-06-21H-1,2,4-Triazole, 1-amino-3,5-bis(4-pyridyl)-DTXSID101977381H-1,2,4-Triazol-1-amine, 3,5-bis(4-pyridyl)-RefChem:237018DTXCID701202293,5-dipyridin-4-yl-1,2,4-triazol-1-amine3,5-di(pyridin-4-yl)-1H-1,2,4-triazol-1-amineopiroxostat Impurity 40Topiroxostat Impurity 40Topiroxostat Related Compound 5
Show more names
3,5-Di(4-pyridinyl)-1H-1,2,4-triazol-1-amine1H-1,2,4-Triazol-1-amine, 3,5-di-4-pyridinyl-
Database identifiers
- CAS
4923-06-2- PubChem CID
- 199772
- DTXSID
DTXSID10197738- Nikkaji
- J49.160H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 310 °C · >310 °C
- Boiling point
- 555.6 · 555.6±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.10(Predicted)
Chemistry & industry
Suppliers5 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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