2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide

C13H16N4O — CID 154865835

IUPAC2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCc1cc(C)cc(CC(=O)Nc2nncn2C)c1
InChIInChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18)
InChIKeyUDMVRKGFUBDAMY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.61
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide

2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 154865835) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
PubChem CID154865835
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCc1cc(C)cc(CC(=O)Nc2nncn2C)c1
InChIInChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18)
InChIKeyUDMVRKGFUBDAMY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide (CID 154865835) is 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide is Cc1cc(C)cc(CC(=O)Nc2nncn2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is UDMVRKGFUBDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 154865835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).