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

C8H12N2O — CID 84716484

IUPAC2-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCn1cc2c(n1)C(O)CCC2
InChIInChI=1S/C8H12N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h5,7,11H,2-4H2,1H3
InChIKeyXLLMURZPNZCRSG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.79
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydroindazol-7-ol

2-methyl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 84716484) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID84716484
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCn1cc2c(n1)C(O)CCC2
InChIInChI=1S/C8H12N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h5,7,11H,2-4H2,1H3
InChIKeyXLLMURZPNZCRSG-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazol-7-ol (CID 84716484) is 2-methyl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroindazol-7-ol is Cn1cc2c(n1)C(O)CCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is XLLMURZPNZCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h5,7,11H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
2-methyl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 152.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 84716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).