5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C14H10N4O2 — CID 69453791

IUPAC5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3ccco3)ccc12
InChIInChI=1S/C14H10N4O2/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19)
InChIKeyXKURAGPVCCMCPB-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.02
Rot. Bonds1

About 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69453791) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69453791
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3ccco3)ccc12
InChIInChI=1S/C14H10N4O2/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19)
InChIKeyXKURAGPVCCMCPB-UHFFFAOYSA-N
XLogP2.02
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69453791) is 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Nc1cc2n[nH]c(=O)n2c2cc(-c3ccco3)ccc12.
What is the InChIKey of 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is XKURAGPVCCMCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19).
What are the key properties of 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 266.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69453791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).