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

C9H8N6OS — CID 11776764

IUPAC2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCSc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
InChIKeyAPSHQFCMMKRIFB-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.08
Rot. Bonds2

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

2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11776764) has the molecular formula C9H8N6OS and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11776764
Molecular FormulaC9H8N6OS
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCSc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
InChIKeyAPSHQFCMMKRIFB-UHFFFAOYSA-N
XLogP1.08
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,2,4)Triazolo(1,5-a)triazin-7-amine, 2-(2-furanyl)-5-phenoxy-
CID 3071852
1-(ethylsulfonyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine
CID 828748
2-(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 857112
2-(Furan-2-Yl)-N~5~-[2-(4-Methylpiperazin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 121225598
2-(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 857603
6-tert-butyl-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662333
3-(2-furyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662524
Furan-2-yl-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone
CID 977002
4-({[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1267782
3-(2-furyl)-5-(2-propynylthio)-1H-1,2,4-triazole
CID 339743
3-(2-Furanyl)-1-(methylsulfonyl)-5-(methylthio)-1H-1,2,4-triazole
CID 828750
5-N-benzyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 9839545

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11776764) is 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CSc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is APSHQFCMMKRIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14).
What are the key properties of 2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 248.27 g/mol, XLogP of 1.08, 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-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11776764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).