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

C15H13N5O — CID 60927071

IUPAC3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C15H13N5O/c16-12-3-1-2-11(8-12)15(21)19-13-4-6-14(7-5-13)20-10-17-9-18-20/h1-10H,16H2,(H,19,21)
InChIKeyLVMREPUCSSTIFE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.10
Rot. Bonds3

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

3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 60927071) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID60927071
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C15H13N5O/c16-12-3-1-2-11(8-12)15(21)19-13-4-6-14(7-5-13)20-10-17-9-18-20/h1-10H,16H2,(H,19,21)
InChIKeyLVMREPUCSSTIFE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
3-(2,2-dimethylpropanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37120344
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 61102206
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988
3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121357
4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 63103393
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
3-amino-N-(4-phenylphenyl)benzamide
CID 757806

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 60927071) is 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is Nc1cccc(C(=O)Nc2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is LVMREPUCSSTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-12-3-1-2-11(8-12)15(21)19-13-4-6-14(7-5-13)20-10-17-9-18-20/h1-10H,16H2,(H,19,21).
What are the key properties of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]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 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 60927071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).