6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine

C11H10ClN3O — CID 6401738

IUPAC6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H10ClN3O/c1-16-9-4-2-8(3-5-9)13-11-7-6-10(12)14-15-11/h2-7H,1H3,(H,13,15)
InChIKeyKAZQXCYNQKFGGI-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.88
Rot. Bonds3

About 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine

6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine (PubChem CID 6401738) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine
PubChem CID6401738
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H10ClN3O/c1-16-9-4-2-8(3-5-9)13-11-7-6-10(12)14-15-11/h2-7H,1H3,(H,13,15)
InChIKeyKAZQXCYNQKFGGI-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine (CID 6401738) is 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine is COc1ccc(Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine?
The InChIKey is KAZQXCYNQKFGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-16-9-4-2-8(3-5-9)13-11-7-6-10(12)14-15-11/h2-7H,1H3,(H,13,15).
What are the key properties of 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine?
6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine has a molecular weight of 235.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 6401738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).