2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one

C17H27N3O2 — CID 126934845

IUPAC2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NC3CCCCC3O)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-12-6-11-17(22)20(19-12)14-9-7-13(8-10-14)18-15-4-2-3-5-16(15)21/h6,11,13-16,18,21H,2-5,7-10H2,1H3
InChIKeyMQLRDMWNLFSQSZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds3

About 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one

2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one (PubChem CID 126934845) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one
PubChem CID126934845
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NC3CCCCC3O)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-12-6-11-17(22)20(19-12)14-9-7-13(8-10-14)18-15-4-2-3-5-16(15)21/h6,11,13-16,18,21H,2-5,7-10H2,1H3
InChIKeyMQLRDMWNLFSQSZ-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one (CID 126934845) is 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2CCC(NC3CCCCC3O)CC2)n1.
What is the InChIKey of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The InChIKey is MQLRDMWNLFSQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-6-11-17(22)20(19-12)14-9-7-13(8-10-14)18-15-4-2-3-5-16(15)21/h6,11,13-16,18,21H,2-5,7-10H2,1H3.
What are the key properties of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one has a molecular weight of 305.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126934845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).