2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid

C12H13N3O3 — CID 82210158

IUPAC2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid
SMILESO=C(O)Cc1nnn(CCO)c1-c1ccccc1
InChIInChI=1S/C12H13N3O3/c16-7-6-15-12(9-4-2-1-3-5-9)10(13-14-15)8-11(17)18/h1-5,16H,6-8H2,(H,17,18)
InChIKeyOSZZBOBMSDODBP-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.56
Rot. Bonds5

About 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid

2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid (PubChem CID 82210158) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid
PubChem CID82210158
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid
SMILESO=C(O)Cc1nnn(CCO)c1-c1ccccc1
InChIInChI=1S/C12H13N3O3/c16-7-6-15-12(9-4-2-1-3-5-9)10(13-14-15)8-11(17)18/h1-5,16H,6-8H2,(H,17,18)
InChIKeyOSZZBOBMSDODBP-UHFFFAOYSA-N
XLogP0.56
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82205190
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2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyltriazol-4-yl]acetic acid
CID 82221408
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
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CID 82210126
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
CID 94943470
1-butyl-5-phenyltriazole-4-carboxylic acid
CID 82205223
5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one
CID 167574647

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid (CID 82210158) is 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid is O=C(O)Cc1nnn(CCO)c1-c1ccccc1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid?
The InChIKey is OSZZBOBMSDODBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-7-6-15-12(9-4-2-1-3-5-9)10(13-14-15)8-11(17)18/h1-5,16H,6-8H2,(H,17,18).
What are the key properties of 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid?
2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid is sourced from PubChem (CID 82210158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).