3-methyl-2,5,6,7-tetrahydroindazol-4-one

C8H10N2O — CID 657436

IUPAC3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1[nH]nc2c1C(=O)CCC2
InChIInChI=1S/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)
InChIKeyVROXGINCMQLXRS-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.24
Rot. Bonds

About 3-methyl-2,5,6,7-tetrahydroindazol-4-one

3-methyl-2,5,6,7-tetrahydroindazol-4-one (PubChem CID 657436) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methyl-2,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name3-methyl-2,5,6,7-tetrahydroindazol-4-one
PubChem CID657436
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1[nH]nc2c1C(=O)CCC2
InChIInChI=1S/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)
InChIKeyVROXGINCMQLXRS-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 3-methyl-2,5,6,7-tetrahydroindazol-4-one (CID 657436) is 3-methyl-2,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 3-methyl-2,5,6,7-tetrahydroindazol-4-one is Cc1[nH]nc2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The InChIKey is VROXGINCMQLXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10).
What are the key properties of 3-methyl-2,5,6,7-tetrahydroindazol-4-one?
3-methyl-2,5,6,7-tetrahydroindazol-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 657436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).