1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol

C10H16N2O — CID 66489379

IUPAC1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCc1nn(C)c2c1C(O)CC(C)C2
InChIInChI=1S/C10H16N2O/c1-6-4-8-10(9(13)5-6)7(2)11-12(8)3/h6,9,13H,4-5H2,1-3H3
InChIKeyKBHFBRLFDKGRHQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds

About 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol

1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 66489379) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID66489379
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCc1nn(C)c2c1C(O)CC(C)C2
InChIInChI=1S/C10H16N2O/c1-6-4-8-10(9(13)5-6)7(2)11-12(8)3/h6,9,13H,4-5H2,1-3H3
InChIKeyKBHFBRLFDKGRHQ-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 90162164
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
3-(difluoromethyl)-1-ethyl-7,7-difluoro-5,6-dihydro-4H-indazol-4-ol
CID 118357662
3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 129129794
4-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250415
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2-methylbutanenitrile
CID 168250420
(4S)-5,5-difluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250423
5-fluoro-5-methyl-1-(4,4,4-trifluoro-3-hydroxybutyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250424
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250425
(4S)-1-(2-cyclopropyl-2-fluoroethyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250443
5,5-difluoro-1-(3-methoxypropyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250446

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol (CID 66489379) is 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol is Cc1nn(C)c2c1C(O)CC(C)C2.
What is the InChIKey of 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is KBHFBRLFDKGRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-4-8-10(9(13)5-6)7(2)11-12(8)3/h6,9,13H,4-5H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol?
1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 66489379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).