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

C11H13N5O3 — CID 55029509

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1nc(C2CC2)no1
InChIInChI=1S/C11H13N5O3/c1-2-7-9(11(17)18)13-15-16(7)5-8-12-10(14-19-8)6-3-4-6/h6H,2-5H2,1H3,(H,17,18)
InChIKeyMYKFQNFJNKWNTB-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.85
Rot. Bonds5

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

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid (PubChem CID 55029509) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid
PubChem CID55029509
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1nc(C2CC2)no1
InChIInChI=1S/C11H13N5O3/c1-2-7-9(11(17)18)13-15-16(7)5-8-12-10(14-19-8)6-3-4-6/h6H,2-5H2,1H3,(H,17,18)
InChIKeyMYKFQNFJNKWNTB-UHFFFAOYSA-N
XLogP0.85
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid (CID 55029509) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The InChIKey is MYKFQNFJNKWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-7-9(11(17)18)13-15-16(7)5-8-12-10(14-19-8)6-3-4-6/h6H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazole-4-carboxylic acid is sourced from PubChem (CID 55029509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).