2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol

C12H15N3O — CID 62399390

IUPAC2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
SMILESCc1ccc(-n2cc(CCO)nn2)cc1C
InChIInChI=1S/C12H15N3O/c1-9-3-4-12(7-10(9)2)15-8-11(5-6-16)13-14-15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyZDRYTXSMOGUNKZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol

2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol (PubChem CID 62399390) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
PubChem CID62399390
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
SMILESCc1ccc(-n2cc(CCO)nn2)cc1C
InChIInChI=1S/C12H15N3O/c1-9-3-4-12(7-10(9)2)15-8-11(5-6-16)13-14-15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyZDRYTXSMOGUNKZ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
N-[[1-(3,4-dimethylphenyl)triazol-4-yl]methyl]propan-1-amine
CID 66204430
[1-(4-methoxy-3-methylphenyl)triazol-4-yl]methanol
CID 62399943
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine
CID 114250514
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399576
2-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-2-ol
CID 71594875
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
CID 142690785
2-[1-[2-methyl-5-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 66476996
3-[1-(3-iodo-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 114257945

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol (CID 62399390) is 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol is Cc1ccc(-n2cc(CCO)nn2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol?
The InChIKey is ZDRYTXSMOGUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-4-12(7-10(9)2)15-8-11(5-6-16)13-14-15/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol?
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62399390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).