4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine

C10H15ClN4 — CID 117105463

IUPAC4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
SMILESNc1nnc(CC2CCNCC2)cc1Cl
InChIInChI=1S/C10H15ClN4/c11-9-6-8(14-15-10(9)12)5-7-1-3-13-4-2-7/h6-7,13H,1-5H2,(H2,12,15)
InChIKeyWNIJUFIERQOTRX-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.25
Rot. Bonds2

About 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine

4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine (PubChem CID 117105463) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
PubChem CID117105463
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
SMILESNc1nnc(CC2CCNCC2)cc1Cl
InChIInChI=1S/C10H15ClN4/c11-9-6-8(14-15-10(9)12)5-7-1-3-13-4-2-7/h6-7,13H,1-5H2,(H2,12,15)
InChIKeyWNIJUFIERQOTRX-UHFFFAOYSA-N
XLogP1.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
The IUPAC name of 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine (CID 117105463) is 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine is Nc1nnc(CC2CCNCC2)cc1Cl.
What is the InChIKey of 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
The InChIKey is WNIJUFIERQOTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-9-6-8(14-15-10(9)12)5-7-1-3-13-4-2-7/h6-7,13H,1-5H2,(H2,12,15).
What are the key properties of 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine?
4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 117105463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).