3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide

C16H14N4O2 — CID 134912596

IUPAC3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide
SMILESCc1ccc(O)c(-n2nncc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H14N4O2/c1-11-7-8-15(21)13(9-11)20-14(10-17-19-20)16(22)18-12-5-3-2-4-6-12/h2-10,21H,1H3,(H,18,22)
InChIKeySDFIDXIFRGVOCZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide

3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide (PubChem CID 134912596) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide
PubChem CID134912596
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide
SMILESCc1ccc(O)c(-n2nncc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H14N4O2/c1-11-7-8-15(21)13(9-11)20-14(10-17-19-20)16(22)18-12-5-3-2-4-6-12/h2-10,21H,1H3,(H,18,22)
InChIKeySDFIDXIFRGVOCZ-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide (CID 134912596) is 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide is Cc1ccc(O)c(-n2nncc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide?
The InChIKey is SDFIDXIFRGVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-7-8-15(21)13(9-11)20-14(10-17-19-20)16(22)18-12-5-3-2-4-6-12/h2-10,21H,1H3,(H,18,22).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide?
3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 134912596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).