2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide

C11H12ClN5O — CID 105359769

IUPAC2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESNCc1ncn(CC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c12-8-2-1-3-9(4-8)15-11(18)6-17-7-14-10(5-13)16-17/h1-4,7H,5-6,13H2,(H,15,18)
InChIKeyFONKUIFHWGODCK-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.03
Rot. Bonds4

About 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 105359769) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID105359769
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESNCc1ncn(CC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c12-8-2-1-3-9(4-8)15-11(18)6-17-7-14-10(5-13)16-17/h1-4,7H,5-6,13H2,(H,15,18)
InChIKeyFONKUIFHWGODCK-UHFFFAOYSA-N
XLogP1.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(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

2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 7733866

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide (CID 105359769) is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide is NCc1ncn(CC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is FONKUIFHWGODCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-8-2-1-3-9(4-8)15-11(18)6-17-7-14-10(5-13)16-17/h1-4,7H,5-6,13H2,(H,15,18).
What are the key properties of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide?
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 105359769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).