[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol

C12H15N3O2 — CID 82207271

IUPAC[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
SMILESCCn1nnc(CO)c1-c1ccccc1OC
InChIInChI=1S/C12H15N3O2/c1-3-15-12(10(8-16)13-14-15)9-6-4-5-7-11(9)17-2/h4-7,16H,3,8H2,1-2H3
InChIKeyBEYSYLTTYRMNGG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds4

About [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol

[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 82207271) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
PubChem CID82207271
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
SMILESCCn1nnc(CO)c1-c1ccccc1OC
InChIInChI=1S/C12H15N3O2/c1-3-15-12(10(8-16)13-14-15)9-6-4-5-7-11(9)17-2/h4-7,16H,3,8H2,1-2H3
InChIKeyBEYSYLTTYRMNGG-UHFFFAOYSA-N
XLogP1.47
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
CID 82210264
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine
CID 23298690
[5-(2-bromophenyl)-1-butyltriazol-4-yl]methanol
CID 94943947
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
1-(2-ethoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 102642660
1-(2,3-dihydroxypropyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 82210196
1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 102642652
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol
CID 82207395

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol (CID 82207271) is [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol is CCn1nnc(CO)c1-c1ccccc1OC.
What is the InChIKey of [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is BEYSYLTTYRMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-15-12(10(8-16)13-14-15)9-6-4-5-7-11(9)17-2/h4-7,16H,3,8H2,1-2H3.
What are the key properties of [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol?
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82207271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).