3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine

C14H13F3N6 — CID 67959082

IUPAC3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine
SMILESCc1c(-c2nnc(-c3cccnc3)n2C)cnn1CC(F)(F)F
InChIInChI=1S/C14H13F3N6/c1-9-11(7-19-23(9)8-14(15,16)17)13-21-20-12(22(13)2)10-4-3-5-18-6-10/h3-7H,8H2,1-2H3
InChIKeyPSNWZQOGDACSBE-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.61
Rot. Bonds3

About 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine

3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 67959082) has the molecular formula C14H13F3N6 and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine
PubChem CID67959082
Molecular FormulaC14H13F3N6
Molecular Weight322.29 g/mol
Exact Mass322.12
IUPAC Name3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine
SMILESCc1c(-c2nnc(-c3cccnc3)n2C)cnn1CC(F)(F)F
InChIInChI=1S/C14H13F3N6/c1-9-11(7-19-23(9)8-14(15,16)17)13-21-20-12(22(13)2)10-4-3-5-18-6-10/h3-7H,8H2,1-2H3
InChIKeyPSNWZQOGDACSBE-UHFFFAOYSA-N
XLogP2.61
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine (CID 67959082) is 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine is Cc1c(-c2nnc(-c3cccnc3)n2C)cnn1CC(F)(F)F.
What is the InChIKey of 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is PSNWZQOGDACSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6/c1-9-11(7-19-23(9)8-14(15,16)17)13-21-20-12(22(13)2)10-4-3-5-18-6-10/h3-7H,8H2,1-2H3.
What are the key properties of 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine?
3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 322.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 67959082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).