[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C16H25N5O2 — CID 95759729

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-19(2)15-7-6-12(17-18-15)16(23)21-10-8-20(9-11-21)13-4-3-5-14(13)22/h6-7,13-14,22H,3-5,8-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyIFNGWQLIRITOQJ-UONOGXRCSA-N
MW319.41 g/mol
LogP0.21
Rot. Bonds3

About [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 95759729) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID95759729
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-19(2)15-7-6-12(17-18-15)16(23)21-10-8-20(9-11-21)13-4-3-5-14(13)22/h6-7,13-14,22H,3-5,8-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyIFNGWQLIRITOQJ-UONOGXRCSA-N
XLogP0.21
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 95759729) is [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)nn1.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is IFNGWQLIRITOQJ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19(2)15-7-6-12(17-18-15)16(23)21-10-8-20(9-11-21)13-4-3-5-14(13)22/h6-7,13-14,22H,3-5,8-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95759729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).