N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide

C13H16N4O — CID 71934501

IUPACN-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2nc(C)nc2C)c1
InChIInChI=1S/C13H16N4O/c1-9-14-10(2)17(16-9)8-12-5-4-6-13(7-12)15-11(3)18/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyRISMHANNJCVAMN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.90
Rot. Bonds3

About N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide

N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide (PubChem CID 71934501) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
PubChem CID71934501
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2nc(C)nc2C)c1
InChIInChI=1S/C13H16N4O/c1-9-14-10(2)17(16-9)8-12-5-4-6-13(7-12)15-11(3)18/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyRISMHANNJCVAMN-UHFFFAOYSA-N
XLogP1.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741078
2-oxo-2-{2-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]hydrazino}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16195091
2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-p-tolyl-propionamide
CID 3142728
2,2-dimethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 8502902
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1130285
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345804
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
N-{[2-(3,5-Dimethyl-4h-1,2,4-Triazol-4-Yl)phenyl]methyl}acetamide
CID 131633051
2-[4-Ethyl-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 865845
N-(2,5-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995141

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide (CID 71934501) is N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2nc(C)nc2C)c1.
What is the InChIKey of N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is RISMHANNJCVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-14-10(2)17(16-9)8-12-5-4-6-13(7-12)15-11(3)18/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71934501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).