6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine

C11H18ClN3 — CID 63838874

IUPAC6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine
SMILESCCC(CC)C(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN3/c1-4-9(5-2)8(3)13-11-7-6-10(12)14-15-11/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyVDTSABPQRJPDJM-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.37
Rot. Bonds5

About 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine

6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine (PubChem CID 63838874) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine
PubChem CID63838874
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine
SMILESCCC(CC)C(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN3/c1-4-9(5-2)8(3)13-11-7-6-10(12)14-15-11/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyVDTSABPQRJPDJM-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine 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 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine (CID 63838874) is 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine is CCC(CC)C(C)Nc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine?
The InChIKey is VDTSABPQRJPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-9(5-2)8(3)13-11-7-6-10(12)14-15-11/h6-9H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine?
6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine has a molecular weight of 227.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 63838874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).