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

C12H15N5O3 — CID 62056332

IUPAC5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
SMILESCC(C)c1noc(Cn2nnc(C(=O)O)c2C2CC2)n1
InChIInChI=1S/C12H15N5O3/c1-6(2)11-13-8(20-15-11)5-17-10(7-3-4-7)9(12(18)19)14-16-17/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyHUVLIASDGSRYQG-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.41
Rot. Bonds5

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

5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid (PubChem CID 62056332) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
PubChem CID62056332
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
SMILESCC(C)c1noc(Cn2nnc(C(=O)O)c2C2CC2)n1
InChIInChI=1S/C12H15N5O3/c1-6(2)11-13-8(20-15-11)5-17-10(7-3-4-7)9(12(18)19)14-16-17/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyHUVLIASDGSRYQG-UHFFFAOYSA-N
XLogP1.41
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid (CID 62056332) is 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid is CC(C)c1noc(Cn2nnc(C(=O)O)c2C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is HUVLIASDGSRYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-6(2)11-13-8(20-15-11)5-17-10(7-3-4-7)9(12(18)19)14-16-17/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?
5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62056332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).