3-(3-methylbutyl)-2H-indazol-6-ol

C12H16N2O — CID 136619287

IUPAC3-(3-methylbutyl)-2H-indazol-6-ol
SMILESCC(C)CCc1[nH]nc2cc(O)ccc12
InChIInChI=1S/C12H16N2O/c1-8(2)3-6-11-10-5-4-9(15)7-12(10)14-13-11/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyOZLRSDWBZUCUEL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-methylbutyl)-2H-indazol-6-ol

3-(3-methylbutyl)-2H-indazol-6-ol (PubChem CID 136619287) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2H-indazol-6-ol.

Molecular Properties

Compound Name3-(3-methylbutyl)-2H-indazol-6-ol
PubChem CID136619287
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(3-methylbutyl)-2H-indazol-6-ol
SMILESCC(C)CCc1[nH]nc2cc(O)ccc12
InChIInChI=1S/C12H16N2O/c1-8(2)3-6-11-10-5-4-9(15)7-12(10)14-13-11/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyOZLRSDWBZUCUEL-UHFFFAOYSA-N
XLogP2.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2H-indazol-6-ol?
The IUPAC name of 3-(3-methylbutyl)-2H-indazol-6-ol (CID 136619287) is 3-(3-methylbutyl)-2H-indazol-6-ol.
What is the SMILES notation for 3-(3-methylbutyl)-2H-indazol-6-ol?
The canonical SMILES for 3-(3-methylbutyl)-2H-indazol-6-ol is CC(C)CCc1[nH]nc2cc(O)ccc12.
What is the InChIKey of 3-(3-methylbutyl)-2H-indazol-6-ol?
The InChIKey is OZLRSDWBZUCUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)3-6-11-10-5-4-9(15)7-12(10)14-13-11/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-methylbutyl)-2H-indazol-6-ol?
3-(3-methylbutyl)-2H-indazol-6-ol has a molecular weight of 204.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-2H-indazol-6-ol is sourced from PubChem (CID 136619287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).