6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine

C11H18ClN3 — CID 114478151

IUPAC6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine
SMILESCCC(C)CC(C)Nc1cnnc(Cl)c1
InChIInChI=1S/C11H18ClN3/c1-4-8(2)5-9(3)14-10-6-11(12)15-13-7-10/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyYFUZRKGWGOYFOH-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.37
Rot. Bonds5

About 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine

6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine (PubChem CID 114478151) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine
PubChem CID114478151
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine
SMILESCCC(C)CC(C)Nc1cnnc(Cl)c1
InChIInChI=1S/C11H18ClN3/c1-4-8(2)5-9(3)14-10-6-11(12)15-13-7-10/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyYFUZRKGWGOYFOH-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine (CID 114478151) is 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine is CCC(C)CC(C)Nc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine?
The InChIKey is YFUZRKGWGOYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-8(2)5-9(3)14-10-6-11(12)15-13-7-10/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine?
6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-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-(4-methylhexan-2-yl)pyridazin-4-amine is sourced from PubChem (CID 114478151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).