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

C18H20N2O2 — CID 59400761

IUPAC6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C2CC2)nn(CC2CC2)c1=O
InChIInChI=1S/C18H20N2O2/c1-11-4-2-3-5-14(11)15-17(21)16(13-8-9-13)19-20(18(15)22)10-12-6-7-12/h2-5,12-13,21H,6-10H2,1H3
InChIKeyRLVQPPLXYXUTSP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.21
Rot. Bonds4

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

6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 59400761) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
PubChem CID59400761
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C2CC2)nn(CC2CC2)c1=O
InChIInChI=1S/C18H20N2O2/c1-11-4-2-3-5-14(11)15-17(21)16(13-8-9-13)19-20(18(15)22)10-12-6-7-12/h2-5,12-13,21H,6-10H2,1H3
InChIKeyRLVQPPLXYXUTSP-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (CID 59400761) is 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(C2CC2)nn(CC2CC2)c1=O.
What is the InChIKey of 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is RLVQPPLXYXUTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-4-2-3-5-14(11)15-17(21)16(13-8-9-13)19-20(18(15)22)10-12-6-7-12/h2-5,12-13,21H,6-10H2,1H3.
What are the key properties of 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 59400761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).