2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide

C11H7Cl2N5O — CID 47120496

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1nncn1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H7Cl2N5O/c12-7-1-2-8(13)9(3-7)16-11(19)5-18-6-15-17-10(18)4-14/h1-3,6H,5H2,(H,16,19)
InChIKeyCFCNOMYUFNQCES-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.10
Rot. Bonds3

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 47120496) has the molecular formula C11H7Cl2N5O and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID47120496
Molecular FormulaC11H7Cl2N5O
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1nncn1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H7Cl2N5O/c12-7-1-2-8(13)9(3-7)16-11(19)5-18-6-15-17-10(18)4-14/h1-3,6H,5H2,(H,16,19)
InChIKeyCFCNOMYUFNQCES-UHFFFAOYSA-N
XLogP2.10
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)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-(3-chloro-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47120491
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-[2-(4-chlorophenoxy)ethyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51264015
N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51288268
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747
2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
CID 17416741
1-[(2-cyanoacetyl)amino]-3-(2,5-dichlorophenyl)thiourea
CID 146579570
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide (CID 47120496) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide is N#Cc1nncn1CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is CFCNOMYUFNQCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O/c12-7-1-2-8(13)9(3-7)16-11(19)5-18-6-15-17-10(18)4-14/h1-3,6H,5H2,(H,16,19).
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 296.12 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 47120496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).