2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone

C16H13N3O2 — CID 175449434

IUPAC2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1cc(-c2ccc(O)cc2)nn1)c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14-8-6-12(7-9-14)15-10-19(18-17-15)11-16(21)13-4-2-1-3-5-13/h1-10,20H,11H2
InChIKeyMQTPQILMFAVJPR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone

2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone (PubChem CID 175449434) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone
PubChem CID175449434
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1cc(-c2ccc(O)cc2)nn1)c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14-8-6-12(7-9-14)15-10-19(18-17-15)11-16(21)13-4-2-1-3-5-13/h1-10,20H,11H2
InChIKeyMQTPQILMFAVJPR-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone (CID 175449434) is 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone is O=C(Cn1cc(-c2ccc(O)cc2)nn1)c1ccccc1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone?
The InChIKey is MQTPQILMFAVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14-8-6-12(7-9-14)15-10-19(18-17-15)11-16(21)13-4-2-1-3-5-13/h1-10,20H,11H2.
What are the key properties of 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone?
2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone has a molecular weight of 279.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 175449434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).