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

C19H17N5O3 — CID 118707862

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyWGWSSUNZPXDWCE-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.17
Rot. Bonds6

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

Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 118707862) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound NameEthyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
PubChem CID118707862
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Nameethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyWGWSSUNZPXDWCE-UHFFFAOYSA-N
XLogP3.17
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CID 118707862) is ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12.
What is the InChIKey of Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is WGWSSUNZPXDWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 363.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 118707862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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