6,7-dihydroindazol-5-one

C7H6N2O — CID 66617414

IUPAC6,7-dihydroindazol-5-one
SMILESO=C1C=C2C=NN=C2CC1
InChIInChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h3-4H,1-2H2
InChIKeyQSVSMNAYVRURDO-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.72
Rot. Bonds

About 6,7-dihydroindazol-5-one

6,7-dihydroindazol-5-one (PubChem CID 66617414) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 6,7-dihydroindazol-5-one.

Molecular Properties

Compound Name6,7-dihydroindazol-5-one
PubChem CID66617414
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name6,7-dihydroindazol-5-one
SMILESO=C1C=C2C=NN=C2CC1
InChIInChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h3-4H,1-2H2
InChIKeyQSVSMNAYVRURDO-UHFFFAOYSA-N
XLogP0.72
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydroindazol-7-one
CID 129796443
4,9-Dihydro-1,2-benzodiazepin-6-one
CID 57305512
4,6-Dihydro-1,2-benzodiazepin-7-one
CID 69956507
6H-1,2-benzodiazepine-4,7-dione
CID 140518023
6H-cyclopenta[g]indazol-7-one
CID 148246193
Indeno[2,1-c]pyridazin-4-one
CID 153828995

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroindazol-5-one?
The IUPAC name of 6,7-dihydroindazol-5-one (CID 66617414) is 6,7-dihydroindazol-5-one.
What is the SMILES notation for 6,7-dihydroindazol-5-one?
The canonical SMILES for 6,7-dihydroindazol-5-one is O=C1C=C2C=NN=C2CC1.
What is the InChIKey of 6,7-dihydroindazol-5-one?
The InChIKey is QSVSMNAYVRURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h3-4H,1-2H2.
What are the key properties of 6,7-dihydroindazol-5-one?
6,7-dihydroindazol-5-one has a molecular weight of 134.14 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroindazol-5-one is sourced from PubChem (CID 66617414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).