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

C10H15ClN4 — CID 61212359

IUPAC6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
SMILESCN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C10H15ClN4/c1-15-6-2-3-8(7-15)12-10-5-4-9(11)13-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyILUHVNXWJVYYJT-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.64
Rot. Bonds2

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

6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine (PubChem CID 61212359) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
PubChem CID61212359
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
SMILESCN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C10H15ClN4/c1-15-6-2-3-8(7-15)12-10-5-4-9(11)13-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyILUHVNXWJVYYJT-UHFFFAOYSA-N
XLogP1.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.64
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-methylpiperidin-3-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine (CID 61212359) is 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine is CN1CCCC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
The InChIKey is ILUHVNXWJVYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-15-6-2-3-8(7-15)12-10-5-4-9(11)13-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,14).
What are the key properties of 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpiperidin-3-yl)pyridazin-3-amine is sourced from PubChem (CID 61212359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).