2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide

C11H14N6O — CID 146150227

IUPAC2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC(C)(C)c2ncn[nH]2)n1
InChIInChI=1S/C11H14N6O/c1-7-12-5-4-8(15-7)9(18)16-11(2,3)10-13-6-14-17-10/h4-6H,1-3H3,(H,16,18)(H,13,14,17)
InChIKeyIWDXQCLWWIJUET-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide (PubChem CID 146150227) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide
PubChem CID146150227
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC(C)(C)c2ncn[nH]2)n1
InChIInChI=1S/C11H14N6O/c1-7-12-5-4-8(15-7)9(18)16-11(2,3)10-13-6-14-17-10/h4-6H,1-3H3,(H,16,18)(H,13,14,17)
InChIKeyIWDXQCLWWIJUET-UHFFFAOYSA-N
XLogP0.57
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-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

2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 115529797
2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide
CID 166280138
tert-butyl N-[3-[2-(1H-1,2,4-triazol-5-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 138013847
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
CID 110836208
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid
CID 146127196
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417
2-bromo-1-(2-methylpyrimidin-4-yl)ethanone
CID 130867076
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide (CID 146150227) is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)NC(C)(C)c2ncn[nH]2)n1.
What is the InChIKey of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is IWDXQCLWWIJUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-12-5-4-8(15-7)9(18)16-11(2,3)10-13-6-14-17-10/h4-6H,1-3H3,(H,16,18)(H,13,14,17).
What are the key properties of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide?
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 146150227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).