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

C9H8BrN5O — CID 103099107

IUPAC4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2nc(N)nc2Br)cc1
InChIInChI=1S/C9H8BrN5O/c10-8-13-9(12)14-15(8)6-3-1-5(2-4-6)7(11)16/h1-4H,(H2,11,16)(H2,12,14)
InChIKeyHNLHZQDSVVCPFK-UHFFFAOYSA-N
MW282.10 g/mol
LogP0.71
Rot. Bonds2

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

4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide (PubChem CID 103099107) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide
PubChem CID103099107
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2nc(N)nc2Br)cc1
InChIInChI=1S/C9H8BrN5O/c10-8-13-9(12)14-15(8)6-3-1-5(2-4-6)7(11)16/h1-4H,(H2,11,16)(H2,12,14)
InChIKeyHNLHZQDSVVCPFK-UHFFFAOYSA-N
XLogP0.71
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103099018
5-(3-amino-5-bromo-1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzonitrile
CID 103098905
4-[5-amino-3-(1,3-benzodioxol-5-ylamino)-1,2,4-triazol-1-yl]benzamide
CID 58976386
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
CID 103099031
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
ethyl 5-amino-1-(4-carbamoylphenyl)triazole-4-carboxylate
CID 82195352
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
4-(4-cyano-5-methyltriazol-1-yl)benzamide
CID 82195267
4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide
CID 84760316
4-indol-1-ylbenzamide
CID 10879114

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide (CID 103099107) is 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide is NC(=O)c1ccc(-n2nc(N)nc2Br)cc1.
What is the InChIKey of 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide?
The InChIKey is HNLHZQDSVVCPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-8-13-9(12)14-15(8)6-3-1-5(2-4-6)7(11)16/h1-4H,(H2,11,16)(H2,12,14).
What are the key properties of 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide?
4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide has a molecular weight of 282.10 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 103099107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).