N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine

C11H18ClN3 — CID 104513539

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN3/c1-8(2)9(3)15(4)7-10-5-6-11(12)14-13-10/h5-6,8-9H,7H2,1-4H3
InChIKeyOYXGYMRPSKMANJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.61
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine

N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine (PubChem CID 104513539) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine
PubChem CID104513539
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN3/c1-8(2)9(3)15(4)7-10-5-6-11(12)14-13-10/h5-6,8-9H,7H2,1-4H3
InChIKeyOYXGYMRPSKMANJ-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-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 N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine (CID 104513539) is N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)Cc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is OYXGYMRPSKMANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(2)9(3)15(4)7-10-5-6-11(12)14-13-10/h5-6,8-9H,7H2,1-4H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 104513539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).