1-methoxytriazole-4,5-dicarboxylic acid

C5H5N3O5 — CID 70684676

IUPAC1-methoxytriazole-4,5-dicarboxylic acid
SMILESCOn1nnc(C(=O)O)c1C(=O)O
InChIInChI=1S/C5H5N3O5/c1-13-8-3(5(11)12)2(4(9)10)6-7-8/h1H3,(H,9,10)(H,11,12)
InChIKeySAURSRMBDNSWRI-UHFFFAOYSA-N
MW187.11 g/mol
LogP-1.27
Rot. Bonds3

About 1-methoxytriazole-4,5-dicarboxylic acid

1-methoxytriazole-4,5-dicarboxylic acid (PubChem CID 70684676) has the molecular formula C5H5N3O5 and a molecular weight of 187.11 g/mol. Its IUPAC name is 1-methoxytriazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name1-methoxytriazole-4,5-dicarboxylic acid
PubChem CID70684676
Molecular FormulaC5H5N3O5
Molecular Weight187.11 g/mol
Exact Mass187.02
IUPAC Name1-methoxytriazole-4,5-dicarboxylic acid
SMILESCOn1nnc(C(=O)O)c1C(=O)O
InChIInChI=1S/C5H5N3O5/c1-13-8-3(5(11)12)2(4(9)10)6-7-8/h1H3,(H,9,10)(H,11,12)
InChIKeySAURSRMBDNSWRI-UHFFFAOYSA-N
XLogP-1.27
TPSA114.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxytriazole-4,5-dicarboxylic acid?
The IUPAC name of 1-methoxytriazole-4,5-dicarboxylic acid (CID 70684676) is 1-methoxytriazole-4,5-dicarboxylic acid.
What is the SMILES notation for 1-methoxytriazole-4,5-dicarboxylic acid?
The canonical SMILES for 1-methoxytriazole-4,5-dicarboxylic acid is COn1nnc(C(=O)O)c1C(=O)O.
What is the InChIKey of 1-methoxytriazole-4,5-dicarboxylic acid?
The InChIKey is SAURSRMBDNSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O5/c1-13-8-3(5(11)12)2(4(9)10)6-7-8/h1H3,(H,9,10)(H,11,12).
What are the key properties of 1-methoxytriazole-4,5-dicarboxylic acid?
1-methoxytriazole-4,5-dicarboxylic acid has a molecular weight of 187.11 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxytriazole-4,5-dicarboxylic acid is sourced from PubChem (CID 70684676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).