3-piperidin-1-ylpyridazine

C9H13N3 — CID 10866658

IUPAC3-piperidin-1-ylpyridazine
SMILESc1cnnc(N2CCCCC2)c1
InChIInChI=1S/C9H13N3/c1-2-7-12(8-3-1)9-5-4-6-10-11-9/h4-6H,1-3,7-8H2
InChIKeyGOCQGHHDQKPGGC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About 3-piperidin-1-ylpyridazine

3-piperidin-1-ylpyridazine (PubChem CID 10866658) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-piperidin-1-ylpyridazine
PubChem CID10866658
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-piperidin-1-ylpyridazine
SMILESc1cnnc(N2CCCCC2)c1
InChIInChI=1S/C9H13N3/c1-2-7-12(8-3-1)9-5-4-6-10-11-9/h4-6H,1-3,7-8H2
InChIKeyGOCQGHHDQKPGGC-UHFFFAOYSA-N
XLogP1.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpyridazine?
The IUPAC name of 3-piperidin-1-ylpyridazine (CID 10866658) is 3-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-piperidin-1-ylpyridazine?
The canonical SMILES for 3-piperidin-1-ylpyridazine is c1cnnc(N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylpyridazine?
The InChIKey is GOCQGHHDQKPGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-12(8-3-1)9-5-4-6-10-11-9/h4-6H,1-3,7-8H2.
What are the key properties of 3-piperidin-1-ylpyridazine?
3-piperidin-1-ylpyridazine has a molecular weight of 163.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpyridazine is sourced from PubChem (CID 10866658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).