[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C16H17N5O4 — CID 43065199

IUPAC[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCc1c(C(=O)OCC(=O)NC(C)c2ccco2)cnc2ncnn12
InChIInChI=1S/C16H17N5O4/c1-3-12-11(7-17-16-18-9-19-21(12)16)15(23)25-8-14(22)20-10(2)13-5-4-6-24-13/h4-7,9-10H,3,8H2,1-2H3,(H,20,22)
InChIKeyNDSPIXBGDRBTIH-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.31
Rot. Bonds6

About [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 43065199) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID43065199
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCc1c(C(=O)OCC(=O)NC(C)c2ccco2)cnc2ncnn12
InChIInChI=1S/C16H17N5O4/c1-3-12-11(7-17-16-18-9-19-21(12)16)15(23)25-8-14(22)20-10(2)13-5-4-6-24-13/h4-7,9-10H,3,8H2,1-2H3,(H,20,22)
InChIKeyNDSPIXBGDRBTIH-UHFFFAOYSA-N
XLogP1.31
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate 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-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 43065199) is [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCc1c(C(=O)OCC(=O)NC(C)c2ccco2)cnc2ncnn12.
What is the InChIKey of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NDSPIXBGDRBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-3-12-11(7-17-16-18-9-19-21(12)16)15(23)25-8-14(22)20-10(2)13-5-4-6-24-13/h4-7,9-10H,3,8H2,1-2H3,(H,20,22).
What are the key properties of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 43065199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).