2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid

C5H7N3O4 — CID 139597950

IUPAC2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESO=C(O)C(O)C(O)n1cncn1
InChIInChI=1S/C5H7N3O4/c9-3(5(11)12)4(10)8-2-6-1-7-8/h1-4,9-10H,(H,11,12)
InChIKeyXZEBKWQVUCTTDV-UHFFFAOYSA-N
MW173.13 g/mol
LogP-1.79
Rot. Bonds3

About 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid

2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 139597950) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID139597950
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESO=C(O)C(O)C(O)n1cncn1
InChIInChI=1S/C5H7N3O4/c9-3(5(11)12)4(10)8-2-6-1-7-8/h1-4,9-10H,(H,11,12)
InChIKeyXZEBKWQVUCTTDV-UHFFFAOYSA-N
XLogP-1.79
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 84650507
Triadimenol metabolite P02
CID 139596520
Triadimenol metabolite P07
CID 139597511
2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 132300826
2-[3-Hydroxy-4-(1,2,4-triazol-1-yl)butoxy]propanedioic acid
CID 44367695
2-[2-Hydroxy-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid
CID 44367712
(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 137462784
Ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 151338284
ethyl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 151338285
Propan-2-yl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 155012680
propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 155021741
Methyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 175377324

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid (CID 139597950) is 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid is O=C(O)C(O)C(O)n1cncn1.
What is the InChIKey of 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is XZEBKWQVUCTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c9-3(5(11)12)4(10)8-2-6-1-7-8/h1-4,9-10H,(H,11,12).
What are the key properties of 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 173.13 g/mol, XLogP of -1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 139597950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).