N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide

C14H12N6O — CID 75521085

IUPACN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
SMILESCn1cnc(-c2ccc(NC(=O)c3cnccn3)cc2)n1
InChIInChI=1S/C14H12N6O/c1-20-9-17-13(19-20)10-2-4-11(5-3-10)18-14(21)12-8-15-6-7-16-12/h2-9H,1H3,(H,18,21)
InChIKeyVWCPGCOGTHRXDR-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.52
Rot. Bonds3

About N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide

N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 75521085) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
PubChem CID75521085
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
SMILESCn1cnc(-c2ccc(NC(=O)c3cnccn3)cc2)n1
InChIInChI=1S/C14H12N6O/c1-20-9-17-13(19-20)10-2-4-11(5-3-10)18-14(21)12-8-15-6-7-16-12/h2-9H,1H3,(H,18,21)
InChIKeyVWCPGCOGTHRXDR-UHFFFAOYSA-N
XLogP1.52
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-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

Related Compounds

N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(4-pyridin-2-ylphenyl)pyrazine-2-carboxamide
CID 110461757
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 18090488
1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 99714676
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide (CID 75521085) is N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide is Cn1cnc(-c2ccc(NC(=O)c3cnccn3)cc2)n1.
What is the InChIKey of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is VWCPGCOGTHRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-20-9-17-13(19-20)10-2-4-11(5-3-10)18-14(21)12-8-15-6-7-16-12/h2-9H,1H3,(H,18,21).
What are the key properties of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide?
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75521085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).