ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate

C14H22N4O3 — CID 103106803

IUPACethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC(=O)N(C)C(C)C)c1C1CC1
InChIInChI=1S/C14H22N4O3/c1-5-21-14(20)12-13(10-6-7-10)18(16-15-12)8-11(19)17(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyQIAUEHZPKZDFMY-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.20
Rot. Bonds6

About ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate

ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate (PubChem CID 103106803) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
PubChem CID103106803
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC(=O)N(C)C(C)C)c1C1CC1
InChIInChI=1S/C14H22N4O3/c1-5-21-14(20)12-13(10-6-7-10)18(16-15-12)8-11(19)17(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyQIAUEHZPKZDFMY-UHFFFAOYSA-N
XLogP1.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate (CID 103106803) is ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate is CCOC(=O)c1nnn(CC(=O)N(C)C(C)C)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is QIAUEHZPKZDFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-21-14(20)12-13(10-6-7-10)18(16-15-12)8-11(19)17(4)9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 103106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).