5-methylidene-2H-indazol-3-one

C8H6N2O — CID 72990724

IUPAC5-methylidene-2H-indazol-3-one
SMILESC=c1ccc2c(c1)C(=O)NN=2
InChIInChI=1S/C8H6N2O/c1-5-2-3-7-6(4-5)8(11)10-9-7/h2-4H,1H2,(H,10,11)
InChIKeyAQEISOUNOGTZTE-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.63
Rot. Bonds

About 5-methylidene-2H-indazol-3-one

5-methylidene-2H-indazol-3-one (PubChem CID 72990724) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-methylidene-2H-indazol-3-one.

Molecular Properties

Compound Name5-methylidene-2H-indazol-3-one
PubChem CID72990724
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name5-methylidene-2H-indazol-3-one
SMILESC=c1ccc2c(c1)C(=O)NN=2
InChIInChI=1S/C8H6N2O/c1-5-2-3-7-6(4-5)8(11)10-9-7/h2-4H,1H2,(H,10,11)
InChIKeyAQEISOUNOGTZTE-UHFFFAOYSA-N
XLogP-0.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methylidene-2H-indazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydrocinnolin-3-one
CID 234722
Benzodiazocinone
CID 20213255
3H-Indazol-3-one, 5-chloro-7-fluoro-1,2-dihydro-
CID 156595250
3H-Indazol-3-one, 7-fluoro-1,2-dihydro-5-iodo-
CID 156595252
4-methyl-2H-cinnolin-3-one
CID 13614111
3-cyclohexa-1,5-dien-1-yl-1H-pyridazin-6-one
CID 19884664
2H-1,2-benzodiazocin-3-one
CID 54463149
2H-cyclohepta[c]pyrazol-3-one
CID 56607437
(4Z)-3-methyl-4-[(E)-4-methylpent-2-enylidene]-1H-pyrazol-5-one
CID 59887958
3,5-diethyl-1H-pyridazin-6-one
CID 68096813
2H-cyclopenta[c]pyrazol-3-one
CID 68678244
2,7-Dihydroindazol-3-one
CID 68805202

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2H-indazol-3-one?
The IUPAC name of 5-methylidene-2H-indazol-3-one (CID 72990724) is 5-methylidene-2H-indazol-3-one.
What is the SMILES notation for 5-methylidene-2H-indazol-3-one?
The canonical SMILES for 5-methylidene-2H-indazol-3-one is C=c1ccc2c(c1)C(=O)NN=2.
What is the InChIKey of 5-methylidene-2H-indazol-3-one?
The InChIKey is AQEISOUNOGTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-5-2-3-7-6(4-5)8(11)10-9-7/h2-4H,1H2,(H,10,11).
What are the key properties of 5-methylidene-2H-indazol-3-one?
5-methylidene-2H-indazol-3-one has a molecular weight of 146.15 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2H-indazol-3-one is sourced from PubChem (CID 72990724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).