5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid

C10H11N5O3 — CID 55029745

IUPAC5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1nnc(Cn2nnc(C(=O)O)c2C2CC2)o1
InChIInChI=1S/C10H11N5O3/c1-5-11-12-7(18-5)4-15-9(6-2-3-6)8(10(16)17)13-14-15/h6H,2-4H2,1H3,(H,16,17)
InChIKeyLRQJGVMWWUGJLA-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.59
Rot. Bonds4

About 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid

5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 55029745) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID55029745
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1nnc(Cn2nnc(C(=O)O)c2C2CC2)o1
InChIInChI=1S/C10H11N5O3/c1-5-11-12-7(18-5)4-15-9(6-2-3-6)8(10(16)17)13-14-15/h6H,2-4H2,1H3,(H,16,17)
InChIKeyLRQJGVMWWUGJLA-UHFFFAOYSA-N
XLogP0.59
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid (CID 55029745) is 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid is Cc1nnc(Cn2nnc(C(=O)O)c2C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is LRQJGVMWWUGJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-5-11-12-7(18-5)4-15-9(6-2-3-6)8(10(16)17)13-14-15/h6H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid?
5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 55029745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).