6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine

C15H18ClN3 — CID 6411248

IUPAC6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine
SMILESCC(C)CCNc1ccc(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H18ClN3/c1-11(2)9-10-17-15-8-7-14(18-19-15)12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyJUZAXUHRRKCNHD-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.26
Rot. Bonds5

About 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine

6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine (PubChem CID 6411248) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine
PubChem CID6411248
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine
SMILESCC(C)CCNc1ccc(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H18ClN3/c1-11(2)9-10-17-15-8-7-14(18-19-15)12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyJUZAXUHRRKCNHD-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine (CID 6411248) is 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine is CC(C)CCNc1ccc(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine?
The InChIKey is JUZAXUHRRKCNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(2)9-10-17-15-8-7-14(18-19-15)12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine?
6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(3-methylbutyl)pyridazin-3-amine is sourced from PubChem (CID 6411248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).