2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C13H16N4O2 — CID 54885247

IUPAC2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ncn[nH]2)ccc1C
InChIInChI=1S/C13H16N4O2/c1-9-3-4-10(5-11(9)19-2)6-13(18)14-7-12-15-8-16-17-12/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeySNBWGTMIDFCLBK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.98
Rot. Bonds5

About 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54885247) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54885247
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ncn[nH]2)ccc1C
InChIInChI=1S/C13H16N4O2/c1-9-3-4-10(5-11(9)19-2)6-13(18)14-7-12-15-8-16-17-12/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeySNBWGTMIDFCLBK-UHFFFAOYSA-N
XLogP0.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64529419
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282
1-(4-methoxy-3-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54885267
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393750
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 60982681
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54885247) is 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is COc1cc(CC(=O)NCc2ncn[nH]2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is SNBWGTMIDFCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-4-10(5-11(9)19-2)6-13(18)14-7-12-15-8-16-17-12/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54885247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).