methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

C8H14N6S — CID 158946684

IUPACmethane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESC.CC(C)Sc1nc(N)nc2ncnn12
InChIInChI=1S/C7H10N6S.CH4/c1-4(2)14-7-12-5(8)11-6-9-3-10-13(6)7;/h3-4H,1-2H3,(H2,8,9,10,11);1H4
InChIKeyJKXHWCLTRZIBLM-UHFFFAOYSA-N
MW226.31 g/mol
LogP1.24
Rot. Bonds2

About methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (PubChem CID 158946684) has the molecular formula C8H14N6S and a molecular weight of 226.31 g/mol. Its IUPAC name is methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound Namemethane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
PubChem CID158946684
Molecular FormulaC8H14N6S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Namemethane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESC.CC(C)Sc1nc(N)nc2ncnn12
InChIInChI=1S/C7H10N6S.CH4/c1-4(2)14-7-12-5(8)11-6-9-3-10-13(6)7;/h3-4H,1-2H3,(H2,8,9,10,11);1H4
InChIKeyJKXHWCLTRZIBLM-UHFFFAOYSA-N
XLogP1.24
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The IUPAC name of methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (CID 158946684) is methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.
What is the SMILES notation for methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The canonical SMILES for methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is C.CC(C)Sc1nc(N)nc2ncnn12.
What is the InChIKey of methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The InChIKey is JKXHWCLTRZIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S.CH4/c1-4(2)14-7-12-5(8)11-6-9-3-10-13(6)7;/h3-4H,1-2H3,(H2,8,9,10,11);1H4.
What are the key properties of methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine has a molecular weight of 226.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 158946684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).