6-methyl-1,5,6,7-tetrahydroindazol-4-one

C8H10N2O — CID 17027693

IUPAC6-methyl-1,5,6,7-tetrahydroindazol-4-one
SMILESCC1CC(=O)c2cn[nH]c2C1
InChIInChI=1S/C8H10N2O/c1-5-2-7-6(4-9-10-7)8(11)3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyUJLZHAZPWCUTDP-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.17
Rot. Bonds

About 6-methyl-1,5,6,7-tetrahydroindazol-4-one

6-methyl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 17027693) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-methyl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name6-methyl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID17027693
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name6-methyl-1,5,6,7-tetrahydroindazol-4-one
SMILESCC1CC(=O)c2cn[nH]c2C1
InChIInChI=1S/C8H10N2O/c1-5-2-7-6(4-9-10-7)8(11)3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyUJLZHAZPWCUTDP-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 6-methyl-1,5,6,7-tetrahydroindazol-4-one (CID 17027693) is 6-methyl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 6-methyl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 6-methyl-1,5,6,7-tetrahydroindazol-4-one is CC1CC(=O)c2cn[nH]c2C1.
What is the InChIKey of 6-methyl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is UJLZHAZPWCUTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-2-7-6(4-9-10-7)8(11)3-5/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 6-methyl-1,5,6,7-tetrahydroindazol-4-one?
6-methyl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 17027693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).