6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine

C11H16ClN3 — CID 3227143

IUPAC6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine
SMILESClc1ccc(NCC2CCCCC2)nn1
InChIInChI=1S/C11H16ClN3/c12-10-6-7-11(15-14-10)13-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15)
InChIKeyZQGVWZFLZIJXHS-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds3

About 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine

6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine (PubChem CID 3227143) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine
PubChem CID3227143
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine
SMILESClc1ccc(NCC2CCCCC2)nn1
InChIInChI=1S/C11H16ClN3/c12-10-6-7-11(15-14-10)13-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15)
InChIKeyZQGVWZFLZIJXHS-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine (CID 3227143) is 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine is Clc1ccc(NCC2CCCCC2)nn1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine?
The InChIKey is ZQGVWZFLZIJXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-10-6-7-11(15-14-10)13-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine?
6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine is sourced from PubChem (CID 3227143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).