cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C16H25N5O — CID 71807489

IUPACcyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C16H25N5O/c1-19(2)14-11-15(18-17-12-14)20-7-9-21(10-8-20)16(22)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3
InChIKeyMTGBTUKUPVMYLG-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.38
Rot. Bonds3

About cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 71807489) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID71807489
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Namecyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C16H25N5O/c1-19(2)14-11-15(18-17-12-14)20-7-9-21(10-8-20)16(22)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3
InChIKeyMTGBTUKUPVMYLG-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-Cyclohexyl-1-{4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl}propan-1-one
CID 71807490
1-(4-(6-(Pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 71807512
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 95826552
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
CID 110257923
1-(4-(6-(Dimethylamino)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 76147935
N-{1-[5-(Morpholin-4-YL)pyridazin-3-YL]pyrrolidin-3-YL}cyclopentanecarboxamide
CID 124078179
N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 164639877
3,3-difluoro-N-methyl-N-[1-(pyridazin-3-yl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 137844834

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 71807489) is cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CN(C)c1cnnc(N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is MTGBTUKUPVMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19(2)14-11-15(18-17-12-14)20-7-9-21(10-8-20)16(22)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 71807489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).