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

C10H16N2O — CID 19245291

IUPAC3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C10H16N2O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13/h8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyGBXIUCRUYNBLER-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.72
Rot. Bonds

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

3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol (PubChem CID 19245291) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol
PubChem CID19245291
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C10H16N2O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13/h8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyGBXIUCRUYNBLER-UHFFFAOYSA-N
XLogP1.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol (CID 19245291) is 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol is Cc1[nH]nc2c1C(O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is GBXIUCRUYNBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13/h8,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol?
3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-2,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 19245291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).