1-methyl-4,5,6,7-tetrahydroindazol-6-ol

C8H12N2O — CID 84716485

IUPAC1-methyl-4,5,6,7-tetrahydroindazol-6-ol
SMILESCn1ncc2c1CC(O)CC2
InChIInChI=1S/C8H12N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5,7,11H,2-4H2,1H3
InChIKeyDFMBUUXFWMYLJI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.27
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydroindazol-6-ol

1-methyl-4,5,6,7-tetrahydroindazol-6-ol (PubChem CID 84716485) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydroindazol-6-ol.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydroindazol-6-ol
PubChem CID84716485
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-methyl-4,5,6,7-tetrahydroindazol-6-ol
SMILESCn1ncc2c1CC(O)CC2
InChIInChI=1S/C8H12N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5,7,11H,2-4H2,1H3
InChIKeyDFMBUUXFWMYLJI-UHFFFAOYSA-N
XLogP0.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.27
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-6-ol?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydroindazol-6-ol (CID 84716485) is 1-methyl-4,5,6,7-tetrahydroindazol-6-ol.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydroindazol-6-ol is Cn1ncc2c1CC(O)CC2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
The InChIKey is DFMBUUXFWMYLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5,7,11H,2-4H2,1H3.
What are the key properties of 1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
1-methyl-4,5,6,7-tetrahydroindazol-6-ol has a molecular weight of 152.20 g/mol, XLogP of 0.27, 0 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-6-ol is sourced from PubChem (CID 84716485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).