3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C19H31N5O — CID 71807490

IUPAC3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1
InChIInChI=1S/C19H31N5O/c1-22(2)17-14-18(21-20-15-17)23-10-12-24(13-11-23)19(25)9-8-16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3
InChIKeyHYXHWCXAQCOJPV-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.55
Rot. Bonds5

About 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 71807490) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID71807490
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1
InChIInChI=1S/C19H31N5O/c1-22(2)17-14-18(21-20-15-17)23-10-12-24(13-11-23)19(25)9-8-16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3
InChIKeyHYXHWCXAQCOJPV-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide
CID 56778541
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 71807484
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 71807485
1-{4-[5-(Dimethylamino)pyridazin-3-YL]piperazin-1-YL}-2-methylpropan-1-one
CID 71807486
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3-methylbutan-1-one
CID 71807488
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-2-phenylethanone
CID 71807495
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
CID 110257923
1-{4-[6-(Azepan-1-yl)pyridazin-3-yl]piperazin-1-yl}-3-cyclohexylpropan-1-one
CID 7292428
Cyclohexyl(4-(6-(2-methylpiperidin-1-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18584530
Cyclopentyl(4-(5-(dimethylamino)pyridazin-3-yl)piperazin-1-yl)methanone
CID 71807489
1-{4-[5-(Dimethylamino)pyridazin-3-YL]piperazin-1-YL}-3-phenylpropan-1-one
CID 71807496
1-(4-(6-(Dimethylamino)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 76147935

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 71807490) is 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CN(C)c1cnnc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1.
What is the InChIKey of 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HYXHWCXAQCOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22(2)17-14-18(21-20-15-17)23-10-12-24(13-11-23)19(25)9-8-16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71807490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).