ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

C16H17N5O4 — CID 118707876

IUPACethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C16H17N5O4/c1-2-24-15(22)11-10-17-16(20-5-8-23-9-6-20)21-14(11)18-13(19-21)12-4-3-7-25-12/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyTUECGVFALVZAQU-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.40
Rot. Bonds4

About ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 118707876) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
PubChem CID118707876
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Nameethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C16H17N5O4/c1-2-24-15(22)11-10-17-16(20-5-8-23-9-6-20)21-14(11)18-13(19-21)12-4-3-7-25-12/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyTUECGVFALVZAQU-UHFFFAOYSA-N
XLogP1.40
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CID 118707876) is ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)c1cnc(N2CCOCC2)n2nc(-c3ccco3)nc12.
What is the InChIKey of ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is TUECGVFALVZAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-2-24-15(22)11-10-17-16(20-5-8-23-9-6-20)21-14(11)18-13(19-21)12-4-3-7-25-12/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 118707876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).