N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide

C15H13N5O — CID 125464900

IUPACN-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H13N5O/c21-13(11-7-3-1-4-8-11)17-15-18-14(19-20-15)16-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)
InChIKeyJSXAZVPBIUDZNM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.80
Rot. Bonds4

About N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide

N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 125464900) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID125464900
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H13N5O/c21-13(11-7-3-1-4-8-11)17-15-18-14(19-20-15)16-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)
InChIKeyJSXAZVPBIUDZNM-UHFFFAOYSA-N
XLogP2.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
CID 930187
4-((5-Amino-1-benzoyl-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide
CID 5330789
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-chlorobenzamide
CID 930185
(E)-N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 887844
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-phenylacetamide
CID 661952
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 703007
(5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,6-difluorophenyl)methanone
CID 20820292
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
CID 703014
N-[3-(acetylamino)-1-phenyl-1H-1,2,4-triazol-5-yl]-3-phenylacrylamide
CID 802849
(5-amino-3-(3-(dimethylamino)phenylamino)-1H-1,2,4-triazol-1-yl)(2,6-difluorophenyl)methanone
CID 52943663
(5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4-triazol-1-yl)(2,6-difluorophenyl)methanone
CID 52948550
4-((5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-YL)amino)-N-methylbenzamide
CID 168267320

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide (CID 125464900) is N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(Nc2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is JSXAZVPBIUDZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-13(11-7-3-1-4-8-11)17-15-18-14(19-20-15)16-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21).
What are the key properties of N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide?
N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 125464900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).