6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol

C13H15N3O — CID 114685342

IUPAC6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(c1cnnn1C)CC2
InChIInChI=1S/C13H15N3O/c1-9-3-4-10-5-6-13(17,11(10)7-9)12-8-14-15-16(12)2/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyDGUKXTWXZHETON-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.31
Rot. Bonds1

About 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol

6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol (PubChem CID 114685342) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol
PubChem CID114685342
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(c1cnnn1C)CC2
InChIInChI=1S/C13H15N3O/c1-9-3-4-10-5-6-13(17,11(10)7-9)12-8-14-15-16(12)2/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyDGUKXTWXZHETON-UHFFFAOYSA-N
XLogP1.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
1-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-2,3-dihydroinden-1-ol
CID 114743658
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685035
6-methyl-1-(2-propoxyphenyl)-2,3-dihydroinden-1-ol
CID 104658916
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685403
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 114633293
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106874064

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol (CID 114685342) is 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol is Cc1ccc2c(c1)C(O)(c1cnnn1C)CC2.
What is the InChIKey of 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol?
The InChIKey is DGUKXTWXZHETON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-4-10-5-6-13(17,11(10)7-9)12-8-14-15-16(12)2/h3-4,7-8,17H,5-6H2,1-2H3.
What are the key properties of 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol?
6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).