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

C12H15N5O3 — CID 103106808

IUPACethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(Cc2nnc(C)o2)c1C1CC1
InChIInChI=1S/C12H15N5O3/c1-3-19-12(18)10-11(8-4-5-8)17(16-15-10)6-9-14-13-7(2)20-9/h8H,3-6H2,1-2H3
InChIKeyRTRZZVDVGKWBNP-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.07
Rot. Bonds5

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

ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate (PubChem CID 103106808) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate
PubChem CID103106808
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Nameethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(Cc2nnc(C)o2)c1C1CC1
InChIInChI=1S/C12H15N5O3/c1-3-19-12(18)10-11(8-4-5-8)17(16-15-10)6-9-14-13-7(2)20-9/h8H,3-6H2,1-2H3
InChIKeyRTRZZVDVGKWBNP-UHFFFAOYSA-N
XLogP1.07
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate (CID 103106808) is ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate is CCOC(=O)c1nnn(Cc2nnc(C)o2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate?
The InChIKey is RTRZZVDVGKWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-19-12(18)10-11(8-4-5-8)17(16-15-10)6-9-14-13-7(2)20-9/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 103106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).