[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol

C18H19N3O — CID 82195695

IUPAC[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccccc1-c1c(CO)nnn1-c1cccc(C)c1C
InChIInChI=1S/C18H19N3O/c1-12-8-6-10-17(14(12)3)21-18(16(11-22)19-20-21)15-9-5-4-7-13(15)2/h4-10,22H,11H2,1-3H3
InChIKeyYHROZHQWDOOFRI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.35
Rot. Bonds3

About [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol

[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol (PubChem CID 82195695) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol
PubChem CID82195695
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccccc1-c1c(CO)nnn1-c1cccc(C)c1C
InChIInChI=1S/C18H19N3O/c1-12-8-6-10-17(14(12)3)21-18(16(11-22)19-20-21)15-9-5-4-7-13(15)2/h4-10,22H,11H2,1-3H3
InChIKeyYHROZHQWDOOFRI-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
[1-(2,3-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-yl]methanamine
CID 82195761
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103
2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide
CID 82211353
[5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)triazol-4-yl]methanamine
CID 94936044
5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
CID 94938110
[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769478
1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 82195099
3-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]benzoic acid
CID 94937823
[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
CID 94935756
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol (CID 82195695) is [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol is Cc1ccccc1-c1c(CO)nnn1-c1cccc(C)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol?
The InChIKey is YHROZHQWDOOFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-8-6-10-17(14(12)3)21-18(16(11-22)19-20-21)15-9-5-4-7-13(15)2/h4-10,22H,11H2,1-3H3.
What are the key properties of [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol?
[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol has a molecular weight of 293.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82195695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).