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

C5H7N3O3 — CID 23139261

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CO)nn1
InChIInChI=1S/C5H7N3O3/c9-3-4-1-8(7-6-4)2-5(10)11/h1,9H,2-3H2,(H,10,11)
InChIKeyCUCDGFYVAKSXCP-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.14
Rot. Bonds3

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

2-[4-(hydroxymethyl)triazol-1-yl]acetic acid (PubChem CID 23139261) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]acetic acid
PubChem CID23139261
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CO)nn1
InChIInChI=1S/C5H7N3O3/c9-3-4-1-8(7-6-4)2-5(10)11/h1,9H,2-3H2,(H,10,11)
InChIKeyCUCDGFYVAKSXCP-UHFFFAOYSA-N
XLogP-1.14
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid (CID 23139261) is 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid is O=C(O)Cn1cc(CO)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid?
The InChIKey is CUCDGFYVAKSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-3-4-1-8(7-6-4)2-5(10)11/h1,9H,2-3H2,(H,10,11).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid?
2-[4-(hydroxymethyl)triazol-1-yl]acetic acid has a molecular weight of 157.13 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 23139261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).