2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C7H10N6S — CID 43827113

IUPAC2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCCCSc1nc2ncnc(N)n2n1
InChIInChI=1S/C7H10N6S/c1-2-3-14-7-11-6-10-4-9-5(8)13(6)12-7/h4H,2-3H2,1H3,(H2,8,9,10,11,12)
InChIKeyFQXXHEWOWUBIOS-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.60
Rot. Bonds3

About 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 43827113) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID43827113
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCCCSc1nc2ncnc(N)n2n1
InChIInChI=1S/C7H10N6S/c1-2-3-14-7-11-6-10-4-9-5(8)13(6)12-7/h4H,2-3H2,1H3,(H2,8,9,10,11,12)
InChIKeyFQXXHEWOWUBIOS-UHFFFAOYSA-N
XLogP0.60
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 43827113) is 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CCCSc1nc2ncnc(N)n2n1.
What is the InChIKey of 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is FQXXHEWOWUBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-2-3-14-7-11-6-10-4-9-5(8)13(6)12-7/h4H,2-3H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 210.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 43827113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).