3-(1,3-dimethylindazol-6-yl)propan-1-ol

C12H16N2O — CID 117292757

IUPAC3-(1,3-dimethylindazol-6-yl)propan-1-ol
SMILESCc1nn(C)c2cc(CCCO)ccc12
InChIInChI=1S/C12H16N2O/c1-9-11-6-5-10(4-3-7-15)8-12(11)14(2)13-9/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyGJTVBPWWYNICLX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds3

About 3-(1,3-dimethylindazol-6-yl)propan-1-ol

3-(1,3-dimethylindazol-6-yl)propan-1-ol (PubChem CID 117292757) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(1,3-dimethylindazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dimethylindazol-6-yl)propan-1-ol
PubChem CID117292757
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(1,3-dimethylindazol-6-yl)propan-1-ol
SMILESCc1nn(C)c2cc(CCCO)ccc12
InChIInChI=1S/C12H16N2O/c1-9-11-6-5-10(4-3-7-15)8-12(11)14(2)13-9/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyGJTVBPWWYNICLX-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
6-fluoro-1,3-dimethylindazole
CID 59514053
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
CID 163230634
2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
6-ethyl-1-methylindazol-3-amine
CID 67124935
2-[1-methyl-3-(2-methylpropyl)indazol-6-yl]ethanamine
CID 105490219
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
3-chloro-6-(isocyanatomethyl)-1-methylindazole
CID 117317274
3-butyl-1-methylindazole;ethane;3-(1-methylindazol-3-yl)propan-1-ol
CID 91002928

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindazol-6-yl)propan-1-ol?
The IUPAC name of 3-(1,3-dimethylindazol-6-yl)propan-1-ol (CID 117292757) is 3-(1,3-dimethylindazol-6-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-dimethylindazol-6-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-dimethylindazol-6-yl)propan-1-ol is Cc1nn(C)c2cc(CCCO)ccc12.
What is the InChIKey of 3-(1,3-dimethylindazol-6-yl)propan-1-ol?
The InChIKey is GJTVBPWWYNICLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-11-6-5-10(4-3-7-15)8-12(11)14(2)13-9/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 3-(1,3-dimethylindazol-6-yl)propan-1-ol?
3-(1,3-dimethylindazol-6-yl)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindazol-6-yl)propan-1-ol is sourced from PubChem (CID 117292757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).