ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol

C10H18N2O — CID 145138637

IUPACethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
SMILESCC.Cc1[nH]nc2c1CCC(O)C2
InChIInChI=1S/C8H12N2O.C2H6/c1-5-7-3-2-6(11)4-8(7)10-9-5;1-2/h6,11H,2-4H2,1H3,(H,9,10);1-2H3
InChIKeyZKGNUKGIOTVEFW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.59
Rot. Bonds

About ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol

ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol (PubChem CID 145138637) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol.

Molecular Properties

Compound Nameethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
PubChem CID145138637
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
SMILESCC.Cc1[nH]nc2c1CCC(O)C2
InChIInChI=1S/C8H12N2O.C2H6/c1-5-7-3-2-6(11)4-8(7)10-9-5;1-2/h6,11H,2-4H2,1H3,(H,9,10);1-2H3
InChIKeyZKGNUKGIOTVEFW-UHFFFAOYSA-N
XLogP1.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3, 5-dimethyl-1H-pyrazol-4-yl) propan-1-ol
CID 105430140
(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 71695301
(4S)-5,5-difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250598
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
5,5-Difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250813
4,5,6,7-Tetrahydro-5-hydroxy-3-trifluoromethyl-1H-indazole
CID 57368453
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 162564217
2-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165626280
1,1,1-trifluoro-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-ol
CID 165650029
2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165968575
3,3-difluoro-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-ol
CID 165970362

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol?
The IUPAC name of ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol (CID 145138637) is ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol.
What is the SMILES notation for ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol?
The canonical SMILES for ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol is CC.Cc1[nH]nc2c1CCC(O)C2.
What is the InChIKey of ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol?
The InChIKey is ZKGNUKGIOTVEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-5-7-3-2-6(11)4-8(7)10-9-5;1-2/h6,11H,2-4H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol?
ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol has a molecular weight of 182.27 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol is sourced from PubChem (CID 145138637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).