2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide

C12H14N4O2 — CID 155020377

IUPAC2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H14N4O2/c1-13-12(17)8-16-7-11(14-15-16)9-3-5-10(18-2)6-4-9/h3-7H,8H2,1-2H3,(H,13,17)
InChIKeyITCOGVXOQYGAMW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.70
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide

2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide (PubChem CID 155020377) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
PubChem CID155020377
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H14N4O2/c1-13-12(17)8-16-7-11(14-15-16)9-3-5-10(18-2)6-4-9/h3-7H,8H2,1-2H3,(H,13,17)
InChIKeyITCOGVXOQYGAMW-UHFFFAOYSA-N
XLogP0.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
N-(1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)triazol-1-yl]acetamide
CID 155528498
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide
CID 90671167
1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)triazole
CID 129189733
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 166272884
2-[4-[4-(1-adamantyl)phenyl]triazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 175927118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide (CID 155020377) is 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide?
The InChIKey is ITCOGVXOQYGAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-13-12(17)8-16-7-11(14-15-16)9-3-5-10(18-2)6-4-9/h3-7H,8H2,1-2H3,(H,13,17).
What are the key properties of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide?
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide has a molecular weight of 246.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 155020377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).