[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol

C12H15N3O — CID 62400530

IUPAC[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1cc(C)cc(Cn2cc(CO)nn2)c1
InChIInChI=1S/C12H15N3O/c1-9-3-10(2)5-11(4-9)6-15-7-12(8-16)13-14-15/h3-5,7,16H,6,8H2,1-2H3
InChIKeyIPSMFBXNVNDJSE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.44
Rot. Bonds3

About [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol

[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol (PubChem CID 62400530) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol
PubChem CID62400530
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1cc(C)cc(Cn2cc(CO)nn2)c1
InChIInChI=1S/C12H15N3O/c1-9-3-10(2)5-11(4-9)6-15-7-12(8-16)13-14-15/h3-5,7,16H,6,8H2,1-2H3
InChIKeyIPSMFBXNVNDJSE-UHFFFAOYSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.44
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-(3,4-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62399389
(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-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
{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-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-{1-[(4-chlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176206

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol (CID 62400530) is [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol is Cc1cc(C)cc(Cn2cc(CO)nn2)c1.
What is the InChIKey of [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol?
The InChIKey is IPSMFBXNVNDJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-10(2)5-11(4-9)6-15-7-12(8-16)13-14-15/h3-5,7,16H,6,8H2,1-2H3.
What are the key properties of [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol?
[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).