2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide

C9H8ClN5O — CID 110464948

IUPAC2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H8ClN5O/c10-5-1-2-6(7(11)3-5)8(16)14-9-12-4-13-15-9/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyGGDGIJRFJDMIPP-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide

2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 110464948) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID110464948
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H8ClN5O/c10-5-1-2-6(7(11)3-5)8(16)14-9-12-4-13-15-9/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyGGDGIJRFJDMIPP-UHFFFAOYSA-N
XLogP1.29
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 104986154
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
CID 103803573
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108511819
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
6-(3-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 67218065

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 110464948) is 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is GGDGIJRFJDMIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-5-1-2-6(7(11)3-5)8(16)14-9-12-4-13-15-9/h1-4H,11H2,(H2,12,13,14,15,16).
What are the key properties of 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 237.65 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 110464948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).