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

C9H14N2O — CID 55253392

IUPAC(1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol
SMILESCn1ncc2c1CCC(CO)C2
InChIInChI=1S/C9H14N2O/c1-11-9-3-2-7(6-12)4-8(9)5-10-11/h5,7,12H,2-4,6H2,1H3
InChIKeyIXLOOBUXHDGAEE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.52
Rot. Bonds1

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

(1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol (PubChem CID 55253392) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol
PubChem CID55253392
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol
SMILESCn1ncc2c1CCC(CO)C2
InChIInChI=1S/C9H14N2O/c1-11-9-3-2-7(6-12)4-8(9)5-10-11/h5,7,12H,2-4,6H2,1H3
InChIKeyIXLOOBUXHDGAEE-UHFFFAOYSA-N
XLogP0.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol?
The IUPAC name of (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol (CID 55253392) is (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol.
What is the SMILES notation for (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol?
The canonical SMILES for (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol is Cn1ncc2c1CCC(CO)C2.
What is the InChIKey of (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol?
The InChIKey is IXLOOBUXHDGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-9-3-2-7(6-12)4-8(9)5-10-11/h5,7,12H,2-4,6H2,1H3.
What are the key properties of (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol?
(1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5,6,7-tetrahydroindazol-5-yl)methanol is sourced from PubChem (CID 55253392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).