3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine

C12H18ClN3 — CID 59543460

IUPAC3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine
SMILESCC(C)N1CCC(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H18ClN3/c1-9(2)16-7-5-10(6-8-16)11-3-4-12(13)15-14-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyLHGLZCSRUOUFSJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.72
Rot. Bonds2

About 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine

3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine (PubChem CID 59543460) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine
PubChem CID59543460
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine
SMILESCC(C)N1CCC(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H18ClN3/c1-9(2)16-7-5-10(6-8-16)11-3-4-12(13)15-14-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyLHGLZCSRUOUFSJ-UHFFFAOYSA-N
XLogP2.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine?
The IUPAC name of 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine (CID 59543460) is 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine is CC(C)N1CCC(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine?
The InChIKey is LHGLZCSRUOUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9(2)16-7-5-10(6-8-16)11-3-4-12(13)15-14-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine?
3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine has a molecular weight of 239.75 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1-propan-2-ylpiperidin-4-yl)pyridazine is sourced from PubChem (CID 59543460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).