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

C9H14N2O — CID 178199937

IUPAC(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol
SMILESCn1ncc2c1C(CO)CCC2
InChIInChI=1S/C9H14N2O/c1-11-9-7(5-10-11)3-2-4-8(9)6-12/h5,8,12H,2-4,6H2,1H3
InChIKeyVLZHFJZRFUICMH-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.83
Rot. Bonds1

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

(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol (PubChem CID 178199937) 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-7-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol
PubChem CID178199937
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol
SMILESCn1ncc2c1C(CO)CCC2
InChIInChI=1S/C9H14N2O/c1-11-9-7(5-10-11)3-2-4-8(9)6-12/h5,8,12H,2-4,6H2,1H3
InChIKeyVLZHFJZRFUICMH-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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-7-yl)methanol?
The IUPAC name of (1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol (CID 178199937) is (1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol.
What is the SMILES notation for (1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol?
The canonical SMILES for (1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol is Cn1ncc2c1C(CO)CCC2.
What is the InChIKey of (1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol?
The InChIKey is VLZHFJZRFUICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-9-7(5-10-11)3-2-4-8(9)6-12/h5,8,12H,2-4,6H2,1H3.
What are the key properties of (1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol?
(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 0.83, 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-7-yl)methanol is sourced from PubChem (CID 178199937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).