2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C18H19N9O — CID 11176361

IUPAC2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3cccnc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-4-2-10-28-14)26-8-6-25(7-9-26)12-13-3-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H2,19,21,22,23,24)
InChIKeyVOTMFSBOTDUFIW-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.08
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11176361) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11176361
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3cccnc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-4-2-10-28-14)26-8-6-25(7-9-26)12-13-3-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H2,19,21,22,23,24)
InChIKeyVOTMFSBOTDUFIW-UHFFFAOYSA-N
XLogP1.08
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11176361) is 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3cccnc3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is VOTMFSBOTDUFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-4-2-10-28-14)26-8-6-25(7-9-26)12-13-3-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H2,19,21,22,23,24).
What are the key properties of 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 377.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11176361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).