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

C9H9N5O — CID 63356286

IUPAC4-amino-3-(1,2,4-triazol-1-yl)benzamide
SMILESNC(=O)c1ccc(N)c(-n2cncn2)c1
InChIInChI=1S/C9H9N5O/c10-7-2-1-6(9(11)15)3-8(7)14-5-12-4-13-14/h1-5H,10H2,(H2,11,15)
InChIKeyGYXCLLHENQITEP-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.05
Rot. Bonds2

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

4-amino-3-(1,2,4-triazol-1-yl)benzamide (PubChem CID 63356286) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-amino-3-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(1,2,4-triazol-1-yl)benzamide
PubChem CID63356286
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4-amino-3-(1,2,4-triazol-1-yl)benzamide
SMILESNC(=O)c1ccc(N)c(-n2cncn2)c1
InChIInChI=1S/C9H9N5O/c10-7-2-1-6(9(11)15)3-8(7)14-5-12-4-13-14/h1-5H,10H2,(H2,11,15)
InChIKeyGYXCLLHENQITEP-UHFFFAOYSA-N
XLogP-0.05
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 4-amino-3-(1,2,4-triazol-1-yl)benzamide (CID 63356286) is 4-amino-3-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 4-amino-3-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 4-amino-3-(1,2,4-triazol-1-yl)benzamide is NC(=O)c1ccc(N)c(-n2cncn2)c1.
What is the InChIKey of 4-amino-3-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is GYXCLLHENQITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-7-2-1-6(9(11)15)3-8(7)14-5-12-4-13-14/h1-5H,10H2,(H2,11,15).
What are the key properties of 4-amino-3-(1,2,4-triazol-1-yl)benzamide?
4-amino-3-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 203.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 63356286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).