2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one

C16H18N2O2 — CID 59400784

IUPAC2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C)nn(CC2CC2)c1=O
InChIInChI=1S/C16H18N2O2/c1-10-5-3-4-6-13(10)14-15(19)11(2)17-18(16(14)20)9-12-7-8-12/h3-6,12,19H,7-9H2,1-2H3
InChIKeyFCHXVJSEWPVWDL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.64
Rot. Bonds3

About 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one

2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 59400784) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
PubChem CID59400784
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C)nn(CC2CC2)c1=O
InChIInChI=1S/C16H18N2O2/c1-10-5-3-4-6-13(10)14-15(19)11(2)17-18(16(14)20)9-12-7-8-12/h3-6,12,19H,7-9H2,1-2H3
InChIKeyFCHXVJSEWPVWDL-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one (CID 59400784) is 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(C)nn(CC2CC2)c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is FCHXVJSEWPVWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-3-4-6-13(10)14-15(19)11(2)17-18(16(14)20)9-12-7-8-12/h3-6,12,19H,7-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one?
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 270.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 59400784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).