2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide

C15H14N6O — CID 71805433

IUPAC2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(-n2cncn2)ncn1
InChIInChI=1S/C15H14N6O/c1-11-4-2-3-5-12(11)6-15(22)20-13-7-14(18-9-17-13)21-10-16-8-19-21/h2-5,7-10H,6H2,1H3,(H,17,18,20,22)
InChIKeyGIWJMPJOQHJAFV-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide

2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 71805433) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID71805433
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(-n2cncn2)ncn1
InChIInChI=1S/C15H14N6O/c1-11-4-2-3-5-12(11)6-15(22)20-13-7-14(18-9-17-13)21-10-16-8-19-21/h2-5,7-10H,6H2,1H3,(H,17,18,20,22)
InChIKeyGIWJMPJOQHJAFV-UHFFFAOYSA-N
XLogP1.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805227
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536
N-[(2-methylphenyl)methyl]-2-[3-(1,2,4-triazol-1-yl)phenoxy]acetamide
CID 71986345
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide
CID 110208417
3-(4-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide
CID 91939496
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
CID 121135495
N-(2-ethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600331

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide (CID 71805433) is 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide is Cc1ccccc1CC(=O)Nc1cc(-n2cncn2)ncn1.
What is the InChIKey of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is GIWJMPJOQHJAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-11-4-2-3-5-12(11)6-15(22)20-13-7-14(18-9-17-13)21-10-16-8-19-21/h2-5,7-10H,6H2,1H3,(H,17,18,20,22).
What are the key properties of 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide?
2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 294.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 71805433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).