5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid

C6H5N5O3 — CID 130521162

IUPAC5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)no2)nn1
InChIInChI=1S/C6H5N5O3/c1-11-2-3(8-10-11)5-7-4(6(12)13)9-14-5/h2H,1H3,(H,12,13)
InChIKeyLXSKQVONUIKEEZ-UHFFFAOYSA-N
MW195.14 g/mol
LogP-0.44
Rot. Bonds2

About 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 130521162) has the molecular formula C6H5N5O3 and a molecular weight of 195.14 g/mol. Its IUPAC name is 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID130521162
Molecular FormulaC6H5N5O3
Molecular Weight195.14 g/mol
Exact Mass195.04
IUPAC Name5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)no2)nn1
InChIInChI=1S/C6H5N5O3/c1-11-2-3(8-10-11)5-7-4(6(12)13)9-14-5/h2H,1H3,(H,12,13)
InChIKeyLXSKQVONUIKEEZ-UHFFFAOYSA-N
XLogP-0.44
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 130521162) is 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid is Cn1cc(-c2nc(C(=O)O)no2)nn1.
What is the InChIKey of 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LXSKQVONUIKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O3/c1-11-2-3(8-10-11)5-7-4(6(12)13)9-14-5/h2H,1H3,(H,12,13).
What are the key properties of 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 195.14 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 130521162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).