2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone

C11H12N4O — CID 170860636

IUPAC2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone
SMILESCc1cnnn1-c1ccc(C(=O)CN)cc1
InChIInChI=1S/C11H12N4O/c1-8-7-13-14-15(8)10-4-2-9(3-5-10)11(16)6-12/h2-5,7H,6,12H2,1H3
InChIKeyPYBUPILYYYGFLX-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.72
Rot. Bonds3

About 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone

2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone (PubChem CID 170860636) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone
PubChem CID170860636
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone
SMILESCc1cnnn1-c1ccc(C(=O)CN)cc1
InChIInChI=1S/C11H12N4O/c1-8-7-13-14-15(8)10-4-2-9(3-5-10)11(16)6-12/h2-5,7H,6,12H2,1H3
InChIKeyPYBUPILYYYGFLX-UHFFFAOYSA-N
XLogP0.72
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
CID 16648820
4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide
CID 16648879
4-[5-(2-ethoxy-2-oxoethyl)triazol-1-yl]benzoic acid
CID 82222512
2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
CID 84785195
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
CID 71313244
ethyl 3-(4-bromophenyl)triazole-4-carboxylate
CID 71266147
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide
CID 17034278

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone (CID 170860636) is 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone is Cc1cnnn1-c1ccc(C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone?
The InChIKey is PYBUPILYYYGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-7-13-14-15(8)10-4-2-9(3-5-10)11(16)6-12/h2-5,7H,6,12H2,1H3.
What are the key properties of 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone?
2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone has a molecular weight of 216.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 170860636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).