1-methyl-5,7-dihydro-4H-indazol-6-one

C8H10N2O — CID 55263567

IUPAC1-methyl-5,7-dihydro-4H-indazol-6-one
SMILESCn1ncc2c1CC(=O)CC2
InChIInChI=1S/C8H10N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5H,2-4H2,1H3
InChIKeyIUBFSVFYJRXNBU-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.48
Rot. Bonds

About 1-methyl-5,7-dihydro-4H-indazol-6-one

1-methyl-5,7-dihydro-4H-indazol-6-one (PubChem CID 55263567) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-methyl-5,7-dihydro-4H-indazol-6-one.

Molecular Properties

Compound Name1-methyl-5,7-dihydro-4H-indazol-6-one
PubChem CID55263567
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-methyl-5,7-dihydro-4H-indazol-6-one
SMILESCn1ncc2c1CC(=O)CC2
InChIInChI=1S/C8H10N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5H,2-4H2,1H3
InChIKeyIUBFSVFYJRXNBU-UHFFFAOYSA-N
XLogP0.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,7-dihydro-4H-indazol-6-one?
The IUPAC name of 1-methyl-5,7-dihydro-4H-indazol-6-one (CID 55263567) is 1-methyl-5,7-dihydro-4H-indazol-6-one.
What is the SMILES notation for 1-methyl-5,7-dihydro-4H-indazol-6-one?
The canonical SMILES for 1-methyl-5,7-dihydro-4H-indazol-6-one is Cn1ncc2c1CC(=O)CC2.
What is the InChIKey of 1-methyl-5,7-dihydro-4H-indazol-6-one?
The InChIKey is IUBFSVFYJRXNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-5,7-dihydro-4H-indazol-6-one?
1-methyl-5,7-dihydro-4H-indazol-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,7-dihydro-4H-indazol-6-one is sourced from PubChem (CID 55263567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).