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

C9H9N7O — CID 127036437

IUPAC2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C9H9N7O/c1-11-8-13-7(10)16-9(14-8)12-6(15-16)5-3-2-4-17-5/h2-4H,1H3,(H3,10,11,12,13,14,15)
InChIKeyWUGXJMXVHUVBQK-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.40
Rot. Bonds2

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

2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 127036437) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID127036437
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C9H9N7O/c1-11-8-13-7(10)16-9(14-8)12-6(15-16)5-3-2-4-17-5/h2-4H,1H3,(H3,10,11,12,13,14,15)
InChIKeyWUGXJMXVHUVBQK-UHFFFAOYSA-N
XLogP0.40
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.40
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-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-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 127036437) is 2-(furan-2-yl)-5-N-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-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-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is CNc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is WUGXJMXVHUVBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c1-11-8-13-7(10)16-9(14-8)12-6(15-16)5-3-2-4-17-5/h2-4H,1H3,(H3,10,11,12,13,14,15).
What are the key properties of 2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 231.22 g/mol, XLogP of 0.40, 2 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-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 127036437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).