Basic information
- CAS
120241-79-4- Standard SMILES
c1cncc(-c2cn[nH]n2)c1- InChIKey
VYXFEFOIYPNBFK-UHFFFAOYSA-N- Molecular formula
- C7H6N4
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.05924621
Names & identifiers
- Preferred name
- 1,2,3-Triazole analogue, 27
- IUPAC
- 3-(2H-triazol-4-yl)pyridine
- English name
- Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9CI)
- Molecular formula
- C7H6N4
- Molecular weight
- 146.15
Names & synonyms
RefChem:1052006120241-79-43-TYP3-(1H-1,2,3-triazol-4-yl)pyridine3-(2H-triazol-4-yl)pyridinePyridine(3-TYP)3-(1H-1,2,3-triazol-4-yl) pyridineMFCD25956467CHEMBL373134Pyridine, 3-(1H-1,2,3-triazol-5-yl)-Pyridine,3-(1H-1,2,3-triazol-4-yl)- (9CI)3-(1H-1,2,3-triazol-5-yl)pyridine
Show more names
CS-27543-TYP, 10 mM in DMSO3-triazol-4-yl) pyridine3-(2H-1,2,3-triazol-4-yl)pyridinePyridine,3-(1H-1,2,3-triazol-5-yl)-
pyridin-3-yl-triazole3TYP3 TYPSCHEMBL503720Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9CI)3-TYP?orb1222814orb1303152
Database identifiers
- CAS
120241-79-4- PubChem CID
- 9833992
- DTXSID
DTXSID801380732- ChEMBL
CHEMBL373134- Nikkaji
- J2.269.539H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 180 · 180-182 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
- Boiling point
- 386.6 · 386.6±17.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMF:PBS (pH 7.2) (1:5): 0.16 mg/ml; DMSO: 10 mg/ml; Ethanol: 5 mg/ml
- form
- A crystalline solid
- pka
- 7.54 · 7.54±0.70(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-(1H-1,2,3-Triazol-4-yl)pyridine is a reactant used in the synthesis of 4-aryl-1H-1,2,3-triazoles which possesses more Indoleamine 2,3-dioxygenase (IDO) inhibitory potency than the most commonly used 1-methyltryptophan.
Upstream & downstream products
Upstream raw materials
Suppliers78 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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