2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide

C11H13ClN4 — CID 169365267

IUPAC2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide
SMILESCc1c2ccc(/N=C(/N)CCl)cc2nn1C
InChIInChI=1S/C11H13ClN4/c1-7-9-4-3-8(14-11(13)6-12)5-10(9)15-16(7)2/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyZNUFMSOCTKXPOD-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide

2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide (PubChem CID 169365267) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide
PubChem CID169365267
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide
SMILESCc1c2ccc(/N=C(/N)CCl)cc2nn1C
InChIInChI=1S/C11H13ClN4/c1-7-9-4-3-8(14-11(13)6-12)5-10(9)15-16(7)2/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyZNUFMSOCTKXPOD-UHFFFAOYSA-N
XLogP2.11
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide (CID 169365267) is 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide is Cc1c2ccc(/N=C(/N)CCl)cc2nn1C.
What is the InChIKey of 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide?
The InChIKey is ZNUFMSOCTKXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7-9-4-3-8(14-11(13)6-12)5-10(9)15-16(7)2/h3-5H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide?
2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide has a molecular weight of 236.71 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,3-dimethylindazol-6-yl)ethanimidamide is sourced from PubChem (CID 169365267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).