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

C15H18FN5O — CID 138035967

IUPACN-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(F)c(CCNC(=O)c2nc3n(n2)CCCN3)c1
InChIInChI=1S/C15H18FN5O/c1-10-3-4-12(16)11(9-10)5-7-17-14(22)13-19-15-18-6-2-8-21(15)20-13/h3-4,9H,2,5-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyVPBQRPHTPIPUDH-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.51
Rot. Bonds4

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

N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138035967) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138035967
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(F)c(CCNC(=O)c2nc3n(n2)CCCN3)c1
InChIInChI=1S/C15H18FN5O/c1-10-3-4-12(16)11(9-10)5-7-17-14(22)13-19-15-18-6-2-8-21(15)20-13/h3-4,9H,2,5-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyVPBQRPHTPIPUDH-UHFFFAOYSA-N
XLogP1.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluoro-5-methylphenyl)ethyl]-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 N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138035967) is N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(F)c(CCNC(=O)c2nc3n(n2)CCCN3)c1.
What is the InChIKey of N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VPBQRPHTPIPUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-10-3-4-12(16)11(9-10)5-7-17-14(22)13-19-15-18-6-2-8-21(15)20-13/h3-4,9H,2,5-8H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-5-methylphenyl)ethyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138035967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).