1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one

C9H10N2O — CID 90932152

IUPAC1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c1CC=C2
InChIInChI=1S/C9H10N2O/c1-6-7-4-3-5-8(7)9(12)11(2)10-6/h3,5H,4H2,1-2H3
InChIKeyDSUCBYCJKFLWLP-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.66
Rot. Bonds

About 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one

1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one (PubChem CID 90932152) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one
PubChem CID90932152
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c1CC=C2
InChIInChI=1S/C9H10N2O/c1-6-7-4-3-5-8(7)9(12)11(2)10-6/h3,5H,4H2,1-2H3
InChIKeyDSUCBYCJKFLWLP-UHFFFAOYSA-N
XLogP0.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3(2H)-cinnolinone
CID 368585
4-Cyclohexa-2,5-dien-1-ylidene-5-methyl-2-propan-2-ylpyrazol-3-one
CID 23534330
2,5-Dimethyl-4-prop-2-enylidenepyrazol-3-one;yttrium
CID 59872787
(4Z)-2,5-dimethyl-4-[(E)-4-methylpent-2-enylidene]pyrazol-3-one
CID 59887935
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene
CID 91019027
CID 91513082
CID 91513082
2-(propan-2-yl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126857410
2,4-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 139522047
2,4-Dimethyl-5,6-dihydrophthalazin-1-one
CID 147363280
2,4-Dimethyl-6-propylpyridazin-3-one
CID 155699983
2,5-dimethyl-4-[(E)-4-methylpent-2-enylidene]pyrazol-3-one
CID 158434743
2,4-Dimethyl-5,8-dihydrophthalazin-1-one
CID 163863343

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one?
The IUPAC name of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one (CID 90932152) is 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one.
What is the SMILES notation for 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one?
The canonical SMILES for 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one is Cc1nn(C)c(=O)c2c1CC=C2.
What is the InChIKey of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one?
The InChIKey is DSUCBYCJKFLWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-7-4-3-5-8(7)9(12)11(2)10-6/h3,5H,4H2,1-2H3.
What are the key properties of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one?
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one is sourced from PubChem (CID 90932152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).