1-anilino-N-phenyltriazole-4-carboxamide

C15H13N5O — CID 134912356

IUPAC1-anilino-N-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(Nc2ccccc2)nn1
InChIInChI=1S/C15H13N5O/c21-15(16-12-7-3-1-4-8-12)14-11-20(19-17-14)18-13-9-5-2-6-10-13/h1-11,18H,(H,16,21)
InChIKeySOMXWHHTXSMRLB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.41
Rot. Bonds4

About 1-anilino-N-phenyltriazole-4-carboxamide

1-anilino-N-phenyltriazole-4-carboxamide (PubChem CID 134912356) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-anilino-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-anilino-N-phenyltriazole-4-carboxamide
PubChem CID134912356
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-anilino-N-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(Nc2ccccc2)nn1
InChIInChI=1S/C15H13N5O/c21-15(16-12-7-3-1-4-8-12)14-11-20(19-17-14)18-13-9-5-2-6-10-13/h1-11,18H,(H,16,21)
InChIKeySOMXWHHTXSMRLB-UHFFFAOYSA-N
XLogP2.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
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N-phenylpyridazine-3-carboxamide
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CID 43429821
1-benzyl-N-[4-(cyanomethyl)phenyl]triazole-4-carboxamide
CID 134046112
1-[2-(furan-2-ylmethylamino)ethyl]-N-phenyltriazole-4-carboxamide
CID 118758703
1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
CID 24684976
N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
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Frequently Asked Questions

What is the IUPAC name of 1-anilino-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-anilino-N-phenyltriazole-4-carboxamide (CID 134912356) is 1-anilino-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-anilino-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-anilino-N-phenyltriazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(Nc2ccccc2)nn1.
What is the InChIKey of 1-anilino-N-phenyltriazole-4-carboxamide?
The InChIKey is SOMXWHHTXSMRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-15(16-12-7-3-1-4-8-12)14-11-20(19-17-14)18-13-9-5-2-6-10-13/h1-11,18H,(H,16,21).
What are the key properties of 1-anilino-N-phenyltriazole-4-carboxamide?
1-anilino-N-phenyltriazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 134912356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).