2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide

C10H9BrClN5O — CID 103477123

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
SMILESNc1ncn(CC(=O)Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C10H9BrClN5O/c11-9-6(12)2-1-3-7(9)15-8(18)4-17-5-14-10(13)16-17/h1-3,5H,4H2,(H2,13,16)(H,15,18)
InChIKeyVZVVXDQLAJUSNT-UHFFFAOYSA-N
MW330.57 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide (PubChem CID 103477123) has the molecular formula C10H9BrClN5O and a molecular weight of 330.57 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
PubChem CID103477123
Molecular FormulaC10H9BrClN5O
Molecular Weight330.57 g/mol
Exact Mass328.97
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
SMILESNc1ncn(CC(=O)Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C10H9BrClN5O/c11-9-6(12)2-1-3-7(9)15-8(18)4-17-5-14-10(13)16-17/h1-3,5H,4H2,(H2,13,16)(H,15,18)
InChIKeyVZVVXDQLAJUSNT-UHFFFAOYSA-N
XLogP1.91
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262324
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9419493
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
2-(2-aminophenoxy)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477091
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393349
(2,6-dichlorophenyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315883
2-(3-amino-1,2,4-triazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 61016205

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide (CID 103477123) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide is Nc1ncn(CC(=O)Nc2cccc(Cl)c2Br)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide?
The InChIKey is VZVVXDQLAJUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5O/c11-9-6(12)2-1-3-7(9)15-8(18)4-17-5-14-10(13)16-17/h1-3,5H,4H2,(H2,13,16)(H,15,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide has a molecular weight of 330.57 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide is sourced from PubChem (CID 103477123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).