1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid

C7H6N4O3 — CID 91754370

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid
SMILESCc1cc(-n2cnc(C(=O)O)n2)no1
InChIInChI=1S/C7H6N4O3/c1-4-2-5(10-14-4)11-3-8-6(9-11)7(12)13/h2-3H,1H3,(H,12,13)
InChIKeySUMQMWJWQXULAO-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.26
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid

1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid (PubChem CID 91754370) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid
PubChem CID91754370
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid
SMILESCc1cc(-n2cnc(C(=O)O)n2)no1
InChIInChI=1S/C7H6N4O3/c1-4-2-5(10-14-4)11-3-8-6(9-11)7(12)13/h2-3H,1H3,(H,12,13)
InChIKeySUMQMWJWQXULAO-UHFFFAOYSA-N
XLogP0.26
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid (CID 91754370) is 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid is Cc1cc(-n2cnc(C(=O)O)n2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid?
The InChIKey is SUMQMWJWQXULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-4-2-5(10-14-4)11-3-8-6(9-11)7(12)13/h2-3H,1H3,(H,12,13).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid?
1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 91754370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).