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

C7H8N2O — CID 12898421

IUPAC1,4,5,7-tetrahydroindazol-6-one
SMILESO=C1CCc2cn[nH]c2C1
InChIInChI=1S/C7H8N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h4H,1-3H2,(H,8,9)
InChIKeyOGVXUCHEVOYHLL-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.47
Rot. Bonds

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

1,4,5,7-tetrahydroindazol-6-one (PubChem CID 12898421) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,4,5,7-tetrahydroindazol-6-one.

Molecular Properties

Compound Name1,4,5,7-tetrahydroindazol-6-one
PubChem CID12898421
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,4,5,7-tetrahydroindazol-6-one
SMILESO=C1CCc2cn[nH]c2C1
InChIInChI=1S/C7H8N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h4H,1-3H2,(H,8,9)
InChIKeyOGVXUCHEVOYHLL-UHFFFAOYSA-N
XLogP0.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole
CID 75317
4,5,6,7-tetrahydro-1H-indazol-4-one
CID 10171247
6,6-Dimethyl-1,5,6,7-tetrahydro-indazol-4-one
CID 19712410
4,5,6,7-tetrahydro-1H-indazol-7-one
CID 69896970
4,5,6,7-tetrahydro-1H-indazol-5-one hydrochloride
CID 155821028
4,5-Dioxo-4,5,6,7-tetrahydroindazole
CID 69745042
4,5,6,7-Tetrahydro-2h-indazole-5-carboxamide
CID 131086682
4,5,6,7-Tetrahydro-5(1h)-indazolone
CID 55254747
6-Fluoro-1,4,5,6-tetrahydroindazol-7-one
CID 166719465
5-Fluoro-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 168250726
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-2-one
CID 174821458
6-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 17027693

Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetrahydroindazol-6-one?
The IUPAC name of 1,4,5,7-tetrahydroindazol-6-one (CID 12898421) is 1,4,5,7-tetrahydroindazol-6-one.
What is the SMILES notation for 1,4,5,7-tetrahydroindazol-6-one?
The canonical SMILES for 1,4,5,7-tetrahydroindazol-6-one is O=C1CCc2cn[nH]c2C1.
What is the InChIKey of 1,4,5,7-tetrahydroindazol-6-one?
The InChIKey is OGVXUCHEVOYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h4H,1-3H2,(H,8,9).
What are the key properties of 1,4,5,7-tetrahydroindazol-6-one?
1,4,5,7-tetrahydroindazol-6-one has a molecular weight of 136.15 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetrahydroindazol-6-one is sourced from PubChem (CID 12898421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).