3-piperidin-2-ylpyridazine

C9H13N3 — CID 90893541

IUPAC3-piperidin-2-ylpyridazine
SMILESc1cnnc(C2CCCCN2)c1
InChIInChI=1S/C9H13N3/c1-2-6-10-8(4-1)9-5-3-7-11-12-9/h3,5,7-8,10H,1-2,4,6H2
InChIKeyQPKCMGKEXGSUES-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.29
Rot. Bonds1

About 3-piperidin-2-ylpyridazine

3-piperidin-2-ylpyridazine (PubChem CID 90893541) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-piperidin-2-ylpyridazine.

Molecular Properties

Compound Name3-piperidin-2-ylpyridazine
PubChem CID90893541
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-piperidin-2-ylpyridazine
SMILESc1cnnc(C2CCCCN2)c1
InChIInChI=1S/C9H13N3/c1-2-6-10-8(4-1)9-5-3-7-11-12-9/h3,5,7-8,10H,1-2,4,6H2
InChIKeyQPKCMGKEXGSUES-UHFFFAOYSA-N
XLogP1.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-ylpyridazine?
The IUPAC name of 3-piperidin-2-ylpyridazine (CID 90893541) is 3-piperidin-2-ylpyridazine.
What is the SMILES notation for 3-piperidin-2-ylpyridazine?
The canonical SMILES for 3-piperidin-2-ylpyridazine is c1cnnc(C2CCCCN2)c1.
What is the InChIKey of 3-piperidin-2-ylpyridazine?
The InChIKey is QPKCMGKEXGSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-6-10-8(4-1)9-5-3-7-11-12-9/h3,5,7-8,10H,1-2,4,6H2.
What are the key properties of 3-piperidin-2-ylpyridazine?
3-piperidin-2-ylpyridazine has a molecular weight of 163.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylpyridazine is sourced from PubChem (CID 90893541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).