[1-(3,4-dimethylphenyl)triazol-4-yl]methanol

C11H13N3O — CID 62399389

IUPAC[1-(3,4-dimethylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)nn2)cc1C
InChIInChI=1S/C11H13N3O/c1-8-3-4-11(5-9(8)2)14-6-10(7-15)12-13-14/h3-6,15H,7H2,1-2H3
InChIKeyCOCVVHVFRCTWBH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.38
Rot. Bonds2

About [1-(3,4-dimethylphenyl)triazol-4-yl]methanol

[1-(3,4-dimethylphenyl)triazol-4-yl]methanol (PubChem CID 62399389) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)triazol-4-yl]methanol
PubChem CID62399389
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[1-(3,4-dimethylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)nn2)cc1C
InChIInChI=1S/C11H13N3O/c1-8-3-4-11(5-9(8)2)14-6-10(7-15)12-13-14/h3-6,15H,7H2,1-2H3
InChIKeyCOCVVHVFRCTWBH-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
2-(1-phenyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 71594942
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828295
{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828296
1-[2-[4-(4-Octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
CID 72736217
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
[1-[[1-(3,4-Dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]triazol-4-yl]methanol
CID 145968710

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3,4-dimethylphenyl)triazol-4-yl]methanol (CID 62399389) is [1-(3,4-dimethylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3,4-dimethylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3,4-dimethylphenyl)triazol-4-yl]methanol is Cc1ccc(-n2cc(CO)nn2)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)triazol-4-yl]methanol?
The InChIKey is COCVVHVFRCTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-4-11(5-9(8)2)14-6-10(7-15)12-13-14/h3-6,15H,7H2,1-2H3.
What are the key properties of [1-(3,4-dimethylphenyl)triazol-4-yl]methanol?
[1-(3,4-dimethylphenyl)triazol-4-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 62399389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).