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

C12H13N7O — CID 15729973

IUPAC2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCCC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
InChIKeyBNQUWJCMFCDGRZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.96
Rot. Bonds2

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

2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 15729973) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID15729973
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCCC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
InChIKeyBNQUWJCMFCDGRZ-UHFFFAOYSA-N
XLogP0.96
TPSA98.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 15729973) is 2-(furan-2-yl)-5-pyrrolidin-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCCC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is BNQUWJCMFCDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17).
What are the key properties of 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 271.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 15729973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).