6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol

C9H14N2O — CID 66489230

IUPAC6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]ncc2C(O)C1
InChIInChI=1S/C9H14N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5,8,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyZSXSNTMXBUWFDQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.42
Rot. Bonds

About 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol

6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (PubChem CID 66489230) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
PubChem CID66489230
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]ncc2C(O)C1
InChIInChI=1S/C9H14N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5,8,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyZSXSNTMXBUWFDQ-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (CID 66489230) is 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is CC1(C)Cc2[nH]ncc2C(O)C1.
What is the InChIKey of 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is ZSXSNTMXBUWFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5,8,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 66489230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).