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

C7H9ClN2O — CID 155821028

IUPAC1,4,6,7-tetrahydroindazol-5-one;hydrochloride
SMILESCl.O=C1CCc2[nH]ncc2C1
InChIInChI=1S/C7H8N2O.ClH/c10-6-1-2-7-5(3-6)4-8-9-7;/h4H,1-3H2,(H,8,9);1H
InChIKeyIAAGOJXQJDWTQX-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.89
Rot. Bonds

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

1,4,6,7-tetrahydroindazol-5-one;hydrochloride (PubChem CID 155821028) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 1,4,6,7-tetrahydroindazol-5-one;hydrochloride.

Molecular Properties

Compound Name1,4,6,7-tetrahydroindazol-5-one;hydrochloride
PubChem CID155821028
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name1,4,6,7-tetrahydroindazol-5-one;hydrochloride
SMILESCl.O=C1CCc2[nH]ncc2C1
InChIInChI=1S/C7H8N2O.ClH/c10-6-1-2-7-5(3-6)4-8-9-7;/h4H,1-3H2,(H,8,9);1H
InChIKeyIAAGOJXQJDWTQX-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.89
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-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
6,6-Dimethyl-5-oxo-4,5,6,7-tetrahydroindazole
CID 129787981

Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydroindazol-5-one;hydrochloride?
The IUPAC name of 1,4,6,7-tetrahydroindazol-5-one;hydrochloride (CID 155821028) is 1,4,6,7-tetrahydroindazol-5-one;hydrochloride.
What is the SMILES notation for 1,4,6,7-tetrahydroindazol-5-one;hydrochloride?
The canonical SMILES for 1,4,6,7-tetrahydroindazol-5-one;hydrochloride is Cl.O=C1CCc2[nH]ncc2C1.
What is the InChIKey of 1,4,6,7-tetrahydroindazol-5-one;hydrochloride?
The InChIKey is IAAGOJXQJDWTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.ClH/c10-6-1-2-7-5(3-6)4-8-9-7;/h4H,1-3H2,(H,8,9);1H.
What are the key properties of 1,4,6,7-tetrahydroindazol-5-one;hydrochloride?
1,4,6,7-tetrahydroindazol-5-one;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 0.89, 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;hydrochloride is sourced from PubChem (CID 155821028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).