5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one

C17H26N4O3 — CID 91779461

IUPAC5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-19-15(22)11-14(12-18-19)20-7-9-21(10-8-20)17(24)16(23)13-5-3-2-4-6-13/h11-13,16,23H,2-10H2,1H3/t16-/m1/s1
InChIKeyWJDFPNVSAQRAHE-MRXNPFEDSA-N
MW334.42 g/mol
LogP0.37
Rot. Bonds3

About 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91779461) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91779461
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-19-15(22)11-14(12-18-19)20-7-9-21(10-8-20)17(24)16(23)13-5-3-2-4-6-13/h11-13,16,23H,2-10H2,1H3/t16-/m1/s1
InChIKeyWJDFPNVSAQRAHE-MRXNPFEDSA-N
XLogP0.37
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 91779461) is 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is WJDFPNVSAQRAHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-15(22)11-14(12-18-19)20-7-9-21(10-8-20)17(24)16(23)13-5-3-2-4-6-13/h11-13,16,23H,2-10H2,1H3/t16-/m1/s1.
What are the key properties of 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91779461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).