2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol

C9H14N2O — CID 84717143

IUPAC2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCc1c2c(nn1C)CCCC2O
InChIInChI=1S/C9H14N2O/c1-6-9-7(10-11(6)2)4-3-5-8(9)12/h8,12H,3-5H2,1-2H3
InChIKeyYBUVQLGNWWARDL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.10
Rot. Bonds

About 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol

2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 84717143) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID84717143
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCc1c2c(nn1C)CCCC2O
InChIInChI=1S/C9H14N2O/c1-6-9-7(10-11(6)2)4-3-5-8(9)12/h8,12H,3-5H2,1-2H3
InChIKeyYBUVQLGNWWARDL-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol (CID 84717143) is 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol is Cc1c2c(nn1C)CCCC2O.
What is the InChIKey of 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is YBUVQLGNWWARDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-9-7(10-11(6)2)4-3-5-8(9)12/h8,12H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 84717143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).