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

C7H8N2O — CID 55254747

IUPAC1,4,6,7-tetrahydroindazol-5-one
SMILESO=C1CCc2[nH]ncc2C1
InChIInChI=1S/C7H8N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h4H,1-3H2,(H,8,9)
InChIKeyWWNLWVBNNBDHDF-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.47
Rot. Bonds

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

1,4,6,7-tetrahydroindazol-5-one (PubChem CID 55254747) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,4,6,7-tetrahydroindazol-5-one.

Molecular Properties

Compound Name1,4,6,7-tetrahydroindazol-5-one
PubChem CID55254747
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,4,6,7-tetrahydroindazol-5-one
SMILESO=C1CCc2[nH]ncc2C1
InChIInChI=1S/C7H8N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h4H,1-3H2,(H,8,9)
InChIKeyWWNLWVBNNBDHDF-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
4,5,6,7-tetrahydro-1H-indazol-6-one
CID 12898421
4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 21941941
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
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 1,4,6,7-tetrahydroindazol-5-one?
The IUPAC name of 1,4,6,7-tetrahydroindazol-5-one (CID 55254747) is 1,4,6,7-tetrahydroindazol-5-one.
What is the SMILES notation for 1,4,6,7-tetrahydroindazol-5-one?
The canonical SMILES for 1,4,6,7-tetrahydroindazol-5-one is O=C1CCc2[nH]ncc2C1.
What is the InChIKey of 1,4,6,7-tetrahydroindazol-5-one?
The InChIKey is WWNLWVBNNBDHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h4H,1-3H2,(H,8,9).
What are the key properties of 1,4,6,7-tetrahydroindazol-5-one?
1,4,6,7-tetrahydroindazol-5-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 1,4,6,7-tetrahydroindazol-5-one is sourced from PubChem (CID 55254747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).