3-tert-butyl-1-methylindazol-7-ol

C12H16N2O — CID 105456470

IUPAC3-tert-butyl-1-methylindazol-7-ol
SMILESCn1nc(C(C)(C)C)c2cccc(O)c21
InChIInChI=1S/C12H16N2O/c1-12(2,3)11-8-6-5-7-9(15)10(8)14(4)13-11/h5-7,15H,1-4H3
InChIKeyKKNYJUHVDPAODU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.58
Rot. Bonds

About 3-tert-butyl-1-methylindazol-7-ol

3-tert-butyl-1-methylindazol-7-ol (PubChem CID 105456470) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-tert-butyl-1-methylindazol-7-ol.

Molecular Properties

Compound Name3-tert-butyl-1-methylindazol-7-ol
PubChem CID105456470
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-tert-butyl-1-methylindazol-7-ol
SMILESCn1nc(C(C)(C)C)c2cccc(O)c21
InChIInChI=1S/C12H16N2O/c1-12(2,3)11-8-6-5-7-9(15)10(8)14(4)13-11/h5-7,15H,1-4H3
InChIKeyKKNYJUHVDPAODU-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
CID 84685431
N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-7-hydroxy-1-methylindazole-3-carboxamide;hydrochloride
CID 131699046
2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one
CID 145079705
7,12,17-tritert-butyl-8,9,15,16-tetraza-1-boraheptacyclo[12.8.1.12,6.115,18.010,23.09,25.022,24]pentacosa-2(25),3,5,7,10,12,14(23),16,18,20,22(24)-undecaene
CID 168741847
4-tert-butyl-2-phenylphthalazin-1-one
CID 134094588
3-methylbenzimidazol-4-ol
CID 3771453
7-bromo-3-ethyl-1-methylindazole
CID 59778768
2-methyl-3-propan-2-ylindazol-7-ol
CID 105444295
1-ethyl-3-methylindazol-7-ol
CID 84717792
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
ethane;1,3,7-trimethylindazole
CID 171820763
8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole
CID 160508334

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylindazol-7-ol?
The IUPAC name of 3-tert-butyl-1-methylindazol-7-ol (CID 105456470) is 3-tert-butyl-1-methylindazol-7-ol.
What is the SMILES notation for 3-tert-butyl-1-methylindazol-7-ol?
The canonical SMILES for 3-tert-butyl-1-methylindazol-7-ol is Cn1nc(C(C)(C)C)c2cccc(O)c21.
What is the InChIKey of 3-tert-butyl-1-methylindazol-7-ol?
The InChIKey is KKNYJUHVDPAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)11-8-6-5-7-9(15)10(8)14(4)13-11/h5-7,15H,1-4H3.
What are the key properties of 3-tert-butyl-1-methylindazol-7-ol?
3-tert-butyl-1-methylindazol-7-ol has a molecular weight of 204.27 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylindazol-7-ol is sourced from PubChem (CID 105456470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).