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

C10H12N8O — CID 51051139

IUPAC5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNCCNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17)
InChIKeyTUHMQVOAPJOLNG-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.27
Rot. Bonds4

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

5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 51051139) has the molecular formula C10H12N8O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID51051139
Molecular FormulaC10H12N8O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESNCCNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17)
InChIKeyTUHMQVOAPJOLNG-UHFFFAOYSA-N
XLogP-0.27
TPSA133.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
2-(furan-2-yl)-5-N-[(3E,5Z)-3-methyl-6-(methylideneamino)hexa-3,5-dienyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 166752469
5-N-[2-[4-(2-ethoxyethylamino)phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381515
[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate
CID 15730022
5-N-[2-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381494
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 153381356
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N'-[amino(propan-2-yl)amino]benzenecarboximidamide
CID 153381381
N-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-2-pyrrolidin-1-ylacetamide
CID 147098302
2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 160886081
2-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-1-(4-methyloxan-4-yl)ethanone
CID 160937916
N'-[amino(cyanomethyl)amino]-4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]benzenecarboximidamide
CID 153381347
4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]piperazin-1-yl]-N-methylbenzenesulfonamide
CID 146468151

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 51051139) is 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is NCCNc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is TUHMQVOAPJOLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17).
What are the key properties of 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 260.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 51051139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).