3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol

C13H17N3O4 — CID 82210264

IUPAC3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
SMILESCOc1ccccc1-c1c(CO)nnn1CC(O)CO
InChIInChI=1S/C13H17N3O4/c1-20-12-5-3-2-4-10(12)13-11(8-18)14-15-16(13)6-9(19)7-17/h2-5,9,17-19H,6-8H2,1H3
InChIKeyQMQVFXLJNTZATF-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.20
Rot. Bonds6

About 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol

3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol (PubChem CID 82210264) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
PubChem CID82210264
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
SMILESCOc1ccccc1-c1c(CO)nnn1CC(O)CO
InChIInChI=1S/C13H17N3O4/c1-20-12-5-3-2-4-10(12)13-11(8-18)14-15-16(13)6-9(19)7-17/h2-5,9,17-19H,6-8H2,1H3
InChIKeyQMQVFXLJNTZATF-UHFFFAOYSA-N
XLogP-0.20
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dihydroxypropyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 82210196
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
3-[5-(2-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946313
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
CID 82211554
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol (CID 82210264) is 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol is COc1ccccc1-c1c(CO)nnn1CC(O)CO.
What is the InChIKey of 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol?
The InChIKey is QMQVFXLJNTZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-12-5-3-2-4-10(12)13-11(8-18)14-15-16(13)6-9(19)7-17/h2-5,9,17-19H,6-8H2,1H3.
What are the key properties of 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol?
3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol has a molecular weight of 279.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82210264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).