2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C18H12N6O — CID 11381852

IUPAC2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(-c2cccc3cccnc23)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H12N6O/c19-16-18-22-17(14-7-3-9-25-14)23-24(18)10-13(21-16)12-6-1-4-11-5-2-8-20-15(11)12/h1-10H,(H2,19,21)
InChIKeyXUMMIOPVHOBLRV-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.18
Rot. Bonds2

About 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 11381852) has the molecular formula C18H12N6O and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID11381852
Molecular FormulaC18H12N6O
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(-c2cccc3cccnc23)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H12N6O/c19-16-18-22-17(14-7-3-9-25-14)23-24(18)10-13(21-16)12-6-1-4-11-5-2-8-20-15(11)12/h1-10H,(H2,19,21)
InChIKeyXUMMIOPVHOBLRV-UHFFFAOYSA-N
XLogP3.18
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 11381852) is 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Nc1nc(-c2cccc3cccnc23)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is XUMMIOPVHOBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O/c19-16-18-22-17(14-7-3-9-25-14)23-24(18)10-13(21-16)12-6-1-4-11-5-2-8-20-15(11)12/h1-10H,(H2,19,21).
What are the key properties of 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 328.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11381852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).