2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one

C17H20N2O2 — CID 47557164

IUPAC2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC1(O)CCCCC1
InChIInChI=1S/C17H20N2O2/c20-16-10-9-15(14-7-3-1-4-8-14)18-19(16)13-17(21)11-5-2-6-12-17/h1,3-4,7-10,21H,2,5-6,11-13H2
InChIKeyZQOHBPNOZJFAGY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.61
Rot. Bonds3

About 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one

2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 47557164) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one
PubChem CID47557164
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC1(O)CCCCC1
InChIInChI=1S/C17H20N2O2/c20-16-10-9-15(14-7-3-1-4-8-14)18-19(16)13-17(21)11-5-2-6-12-17/h1,3-4,7-10,21H,2,5-6,11-13H2
InChIKeyZQOHBPNOZJFAGY-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one (CID 47557164) is 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is ZQOHBPNOZJFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-10-9-15(14-7-3-1-4-8-14)18-19(16)13-17(21)11-5-2-6-12-17/h1,3-4,7-10,21H,2,5-6,11-13H2.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one?
2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one has a molecular weight of 284.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 47557164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).