2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol

C10H16N2O — CID 71307728

IUPAC2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
SMILESCn1ncc2c1CCCC2CCO
InChIInChI=1S/C10H16N2O/c1-12-10-4-2-3-8(5-6-13)9(10)7-11-12/h7-8,13H,2-6H2,1H3
InChIKeyXGXFTDBRTANYKO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.22
Rot. Bonds2

About 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol

2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol (PubChem CID 71307728) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
PubChem CID71307728
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
SMILESCn1ncc2c1CCCC2CCO
InChIInChI=1S/C10H16N2O/c1-12-10-4-2-3-8(5-6-13)9(10)7-11-12/h7-8,13H,2-6H2,1H3
InChIKeyXGXFTDBRTANYKO-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol?
The IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol (CID 71307728) is 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol?
The canonical SMILES for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol is Cn1ncc2c1CCCC2CCO.
What is the InChIKey of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol?
The InChIKey is XGXFTDBRTANYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-10-4-2-3-8(5-6-13)9(10)7-11-12/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol?
2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol is sourced from PubChem (CID 71307728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).