7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H14FN5O — CID 136839137

IUPAC7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(C2CCNc3nc(C(N)=O)nn32)cc1F
InChIInChI=1S/C13H14FN5O/c1-7-2-3-8(6-9(7)14)10-4-5-16-13-17-12(11(15)20)18-19(10)13/h2-3,6,10H,4-5H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyJQQJGPQATXAJQN-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.23
Rot. Bonds2

About 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136839137) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136839137
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(C2CCNc3nc(C(N)=O)nn32)cc1F
InChIInChI=1S/C13H14FN5O/c1-7-2-3-8(6-9(7)14)10-4-5-16-13-17-12(11(15)20)18-19(10)13/h2-3,6,10H,4-5H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyJQQJGPQATXAJQN-UHFFFAOYSA-N
XLogP1.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide 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 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 136839137) is 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(C2CCNc3nc(C(N)=O)nn32)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JQQJGPQATXAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-7-2-3-8(6-9(7)14)10-4-5-16-13-17-12(11(15)20)18-19(10)13/h2-3,6,10H,4-5H2,1H3,(H2,15,20)(H,16,17,18).
What are the key properties of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136839137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).