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

C7H10N6S — CID 146407602

IUPAC7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESCC(C)Sc1nc(N)nc2ncnn12
InChIInChI=1S/C7H10N6S/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)
InChIKeyNBJJKZQPRKWBEK-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.60
Rot. Bonds2

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

7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (PubChem CID 146407602) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound Name7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
PubChem CID146407602
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESCC(C)Sc1nc(N)nc2ncnn12
InChIInChI=1S/C7H10N6S/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)
InChIKeyNBJJKZQPRKWBEK-UHFFFAOYSA-N
XLogP0.60
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
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 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The IUPAC name of 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (CID 146407602) is 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.
What is the SMILES notation for 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The canonical SMILES for 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is CC(C)Sc1nc(N)nc2ncnn12.
What is the InChIKey of 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The InChIKey is NBJJKZQPRKWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/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).
What are the key properties of 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine has a molecular weight of 210.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 146407602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).