N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide

C15H13N5O — CID 703007

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESNc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-14-18-15(17-13(21)11-7-3-1-4-8-11)19-20(14)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21)
InChIKeyOMFMTXNGSUSPPF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.10
Rot. Bonds3

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 703007) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide
PubChem CID703007
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESNc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-14-18-15(17-13(21)11-7-3-1-4-8-11)19-20(14)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21)
InChIKeyOMFMTXNGSUSPPF-UHFFFAOYSA-N
XLogP2.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide (CID 703007) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide is Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is OMFMTXNGSUSPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-14-18-15(17-13(21)11-7-3-1-4-8-11)19-20(14)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 703007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).