7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H9N5O — CID 1471647

IUPAC7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1coc(-c2ccnc3nc(-n4cccc4)nn23)c1
InChIInChI=1S/C13H9N5O/c1-2-8-17(7-1)13-15-12-14-6-5-10(18(12)16-13)11-4-3-9-19-11/h1-9H
InChIKeyRUNGQOYRFRSBCN-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.17
Rot. Bonds2

About 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1471647) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1471647
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1coc(-c2ccnc3nc(-n4cccc4)nn23)c1
InChIInChI=1S/C13H9N5O/c1-2-8-17(7-1)13-15-12-14-6-5-10(18(12)16-13)11-4-3-9-19-11/h1-9H
InChIKeyRUNGQOYRFRSBCN-UHFFFAOYSA-N
XLogP2.17
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine 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 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1471647) is 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1coc(-c2ccnc3nc(-n4cccc4)nn23)c1.
What is the InChIKey of 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RUNGQOYRFRSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c1-2-8-17(7-1)13-15-12-14-6-5-10(18(12)16-13)11-4-3-9-19-11/h1-9H.
What are the key properties of 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 251.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1471647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).