[2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

C14H15F3N6O4 — CID 27030513

IUPAC[2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCC(=O)NC(N)=O
InChIInChI=1S/C14H15F3N6O4/c1-6-8(3-4-10(25)27-5-9(24)20-12(18)26)7(2)23-13(19-6)21-11(22-23)14(15,16)17/h3-5H2,1-2H3,(H3,18,20,24,26)
InChIKeyRTGYTQIGCLSNHZ-UHFFFAOYSA-N
MW388.31 g/mol
LogP0.43
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

[2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate (PubChem CID 27030513) has the molecular formula C14H15F3N6O4 and a molecular weight of 388.31 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
PubChem CID27030513
Molecular FormulaC14H15F3N6O4
Molecular Weight388.31 g/mol
Exact Mass388.11
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCC(=O)NC(N)=O
InChIInChI=1S/C14H15F3N6O4/c1-6-8(3-4-10(25)27-5-9(24)20-12(18)26)7(2)23-13(19-6)21-11(22-23)14(15,16)17/h3-5H2,1-2H3,(H3,18,20,24,26)
InChIKeyRTGYTQIGCLSNHZ-UHFFFAOYSA-N
XLogP0.43
TPSA141.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate (CID 27030513) is [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCC(=O)NC(N)=O.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate?
The InChIKey is RTGYTQIGCLSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O4/c1-6-8(3-4-10(25)27-5-9(24)20-12(18)26)7(2)23-13(19-6)21-11(22-23)14(15,16)17/h3-5H2,1-2H3,(H3,18,20,24,26).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate?
[2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate has a molecular weight of 388.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate is sourced from PubChem (CID 27030513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).