4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one

C11H10N2O2 — CID 10262238

IUPAC4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(CO)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H10N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-6,14H,7H2,(H,12,15)
InChIKeyMGSDTCBJBNQIGU-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.93
Rot. Bonds2

About 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one

4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 10262238) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID10262238
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(CO)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H10N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-6,14H,7H2,(H,12,15)
InChIKeyMGSDTCBJBNQIGU-UHFFFAOYSA-N
XLogP0.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one (CID 10262238) is 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one is O=c1cc(CO)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is MGSDTCBJBNQIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-6,14H,7H2,(H,12,15).
What are the key properties of 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one?
4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 202.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 10262238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).