2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C18H20N8O2 — CID 11234349

IUPAC2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H20N8O2/c19-16-22-17(23-18-21-15(24-26(16)18)14-6-3-9-28-14)20-10-12-4-1-7-25(12)11-13-5-2-8-27-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H3,19,20,21,22,23,24)/t12-/m1/s1
InChIKeyWOAGBHKYPSUWSN-GFCCVEGCSA-N
MW380.41 g/mol
LogP2.03
Rot. Bonds6

About 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 11234349) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID11234349
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H20N8O2/c19-16-22-17(23-18-21-15(24-26(16)18)14-6-3-9-28-14)20-10-12-4-1-7-25(12)11-13-5-2-8-27-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H3,19,20,21,22,23,24)/t12-/m1/s1
InChIKeyWOAGBHKYPSUWSN-GFCCVEGCSA-N
XLogP2.03
TPSA123.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 11234349) is 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is WOAGBHKYPSUWSN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N8O2/c19-16-22-17(23-18-21-15(24-26(16)18)14-6-3-9-28-14)20-10-12-4-1-7-25(12)11-13-5-2-8-27-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H3,19,20,21,22,23,24)/t12-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 380.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-[[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 11234349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).