1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide

C15H12N4O2 — CID 162657040

IUPAC1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C15H12N4O2/c20-13-8-6-12(7-9-13)19-10-14(17-18-19)15(21)16-11-4-2-1-3-5-11/h1-10,20H,(H,16,21)
InChIKeyWQHXKRNVOIJFRI-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.23
Rot. Bonds3

About 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide

1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide (PubChem CID 162657040) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide
PubChem CID162657040
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C15H12N4O2/c20-13-8-6-12(7-9-13)19-10-14(17-18-19)15(21)16-11-4-2-1-3-5-11/h1-10,20H,(H,16,21)
InChIKeyWQHXKRNVOIJFRI-UHFFFAOYSA-N
XLogP2.23
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide (CID 162657040) is 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide?
The InChIKey is WQHXKRNVOIJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-13-8-6-12(7-9-13)19-10-14(17-18-19)15(21)16-11-4-2-1-3-5-11/h1-10,20H,(H,16,21).
What are the key properties of 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide?
1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 162657040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).