1H-1,2,4-Triazole, 5-(3-pyridyl)-
Basic information
- CAS
23195-63-3- Standard SMILES
c1cncc(-c2ncn[nH]2)c1- InChIKey
PFUBXXBFRUAXCG-UHFFFAOYSA-N- Molecular formula
- C7H6N4
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.05924621
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 5-(3-pyridyl)-
- IUPAC
- 3-(1H-1,2,4-triazol-5-yl)pyridine
- English name
- 3-(3-Pyridinyl)-1H-1,2,4-triazole
- Molecular formula
- C7H6N4
- Molecular weight
- 146.15
Names & synonyms
23195-63-33-(1h-1,2,4-triazol-5-yl)pyridinePyridine, 3-(1H-1,2,4-triazol-5-yl)-5-(3-Pyridyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 5-(3-pyridyl)-DTXSID50177771RefChem:437864DTXCID10100262836-248-93-(1H-1,2,4-triazol-3-yl)pyridine3-(4H-1,2,4-triazol-3-yl)pyridineMFCD18917008
Show more names
3-(2H-1,2,4-triazol-3-yl)pyridine
Pyridine, 3-(1H-1,2,4-triazol-3-yl)-MFCD016785633-(3-Pyridinyl)-1H-1,2,4-triazolePyridine,3-(1H-1,2,4-triazol-5-yl)-SCHEMBL514720SCHEMBL985735SCHEMBL2731816SCHEMBL4024336
Database identifiers
- CAS
23195-63-3- PubChem CID
- 211469
- DTXSID
DTXSID50177771- EC Number
- 836-248-9
- Nikkaji
- J49.172A
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 174 °C · 174 °C
- Boiling point
- 379.2 · 379.2±44.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- pka
- 8.8 · 8.80±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…