2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine

C9H7F3N4 — CID 134947582

IUPAC2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCc1ncn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4/c1-6-14-5-16(15-6)8-3-2-7(4-13-8)9(10,11)12/h2-5H,1H3
InChIKeyAGZLTGSIJXHJNF-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.99
Rot. Bonds1

About 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine

2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 134947582) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID134947582
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCc1ncn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4/c1-6-14-5-16(15-6)8-3-2-7(4-13-8)9(10,11)12/h2-5H,1H3
InChIKeyAGZLTGSIJXHJNF-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 142333101
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
CID 90484283
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37139535
4-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid
CID 107345897
2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323
2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]-5-(trifluoromethyl)pyridine
CID 99858849

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CID 134947582) is 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is Cc1ncn(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is AGZLTGSIJXHJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-6-14-5-16(15-6)8-3-2-7(4-13-8)9(10,11)12/h2-5H,1H3.
What are the key properties of 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 228.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134947582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).