2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C11H13N7O — CID 15729947

IUPAC2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCCCNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C11H13N7O/c1-2-5-13-10-15-9(12)18-11(16-10)14-8(17-18)7-4-3-6-19-7/h3-4,6H,2,5H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyWCMOMGJOPGYRTP-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.18
Rot. Bonds4

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

2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 15729947) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID15729947
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCCCNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C11H13N7O/c1-2-5-13-10-15-9(12)18-11(16-10)14-8(17-18)7-4-3-6-19-7/h3-4,6H,2,5H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyWCMOMGJOPGYRTP-UHFFFAOYSA-N
XLogP1.18
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 15729947) is 2-(furan-2-yl)-5-N-propyl-[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-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is CCCNc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is WCMOMGJOPGYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-2-5-13-10-15-9(12)18-11(16-10)14-8(17-18)7-4-3-6-19-7/h3-4,6H,2,5H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 259.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 15729947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).