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

C13H17N3O2 — CID 82195856

IUPAC[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
SMILESCOCc1c(CO)nnn1-c1cc(C)ccc1C
InChIInChI=1S/C13H17N3O2/c1-9-4-5-10(2)12(6-9)16-13(8-18-3)11(7-17)14-15-16/h4-6,17H,7-8H2,1-3H3
InChIKeyMSKKQNVXOLOKLA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.52
Rot. Bonds4

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

[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol (PubChem CID 82195856) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
PubChem CID82195856
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
SMILESCOCc1c(CO)nnn1-c1cc(C)ccc1C
InChIInChI=1S/C13H17N3O2/c1-9-4-5-10(2)12(6-9)16-13(8-18-3)11(7-17)14-15-16/h4-6,17H,7-8H2,1-3H3
InChIKeyMSKKQNVXOLOKLA-UHFFFAOYSA-N
XLogP1.52
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
CID 82195870
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 56686728
[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol
CID 94938536
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
CID 82207380
[1-(3,4-dimethylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94936961
[5-(methoxymethyl)-1-(3-nitrophenyl)triazol-4-yl]methanol
CID 82200083
5-butyl-1-(2,5-dimethylphenyl)triazole-4-carbaldehyde
CID 82195790
[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204642
[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol
CID 50974728

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol (CID 82195856) is [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol is COCc1c(CO)nnn1-c1cc(C)ccc1C.
What is the InChIKey of [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
The InChIKey is MSKKQNVXOLOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-5-10(2)12(6-9)16-13(8-18-3)11(7-17)14-15-16/h4-6,17H,7-8H2,1-3H3.
What are the key properties of [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82195856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).