6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine

C11H17ClN4 — CID 61170586

IUPAC6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine
SMILESCCN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C11H17ClN4/c1-2-16-7-3-4-9(8-16)13-11-6-5-10(12)14-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyYGEDSKOQKBLOPS-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.03
Rot. Bonds3

About 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine

6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine (PubChem CID 61170586) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine
PubChem CID61170586
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine
SMILESCCN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C11H17ClN4/c1-2-16-7-3-4-9(8-16)13-11-6-5-10(12)14-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyYGEDSKOQKBLOPS-UHFFFAOYSA-N
XLogP2.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine (CID 61170586) is 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine is CCN1CCCC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine?
The InChIKey is YGEDSKOQKBLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-16-7-3-4-9(8-16)13-11-6-5-10(12)14-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine?
6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine has a molecular weight of 240.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylpiperidin-3-yl)pyridazin-3-amine is sourced from PubChem (CID 61170586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).