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

C6H9N3O3 — CID 80703719

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CCO)nn1
InChIInChI=1S/C6H9N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,10H,1-2,4H2,(H,11,12)
InChIKeyRICJSEVVSNBROD-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.10
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid (PubChem CID 80703719) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid
PubChem CID80703719
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CCO)nn1
InChIInChI=1S/C6H9N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,10H,1-2,4H2,(H,11,12)
InChIKeyRICJSEVVSNBROD-UHFFFAOYSA-N
XLogP-1.10
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 23139261
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]acetic acid
CID 59680732
methyl 2-[4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756634
methyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756732
methyl 2-(4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl)acetate
CID 104093357
tert-butyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 121552734
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132300818
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132344527
2-(1-Methyl-1H-1,2,3-triazol-4-yl)acetic acid
CID 58281215
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid
CID 67477111
2-[4-(2-Hydroxyethyl)-1h-1,2,3-triazol-1-yl]-ethane-1,1-diol
CID 134693278
2-[1-(2,2,2-Trifluoroethyl)triazol-4-yl]ethanol
CID 62401128

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid (CID 80703719) is 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid is O=C(O)Cn1cc(CCO)nn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid?
The InChIKey is RICJSEVVSNBROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,10H,1-2,4H2,(H,11,12).
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid?
2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 80703719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).