[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone

C21H33N5O — CID 7292427

IUPAC[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1
InChIInChI=1S/C21H33N5O/c27-21(18-8-4-3-5-9-18)26-16-14-25(15-17-26)20-11-10-19(22-23-20)24-12-6-1-2-7-13-24/h10-11,18H,1-9,12-17H2
InChIKeyFSKCJLCQJLKZKW-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.09
Rot. Bonds3

About [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone

[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone (PubChem CID 7292427) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone
PubChem CID7292427
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1
InChIInChI=1S/C21H33N5O/c27-21(18-8-4-3-5-9-18)26-16-14-25(15-17-26)20-11-10-19(22-23-20)24-12-6-1-2-7-13-24/h10-11,18H,1-9,12-17H2
InChIKeyFSKCJLCQJLKZKW-UHFFFAOYSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone (CID 7292427) is [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1.
What is the InChIKey of [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is FSKCJLCQJLKZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c27-21(18-8-4-3-5-9-18)26-16-14-25(15-17-26)20-11-10-19(22-23-20)24-12-6-1-2-7-13-24/h10-11,18H,1-9,12-17H2.
What are the key properties of [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone?
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 371.53 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 7292427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).