3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H17N5S — CID 113494041

IUPAC3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSC(C)CCNc1nccn2c(C)nnc12
InChIInChI=1S/C11H17N5S/c1-8(17-3)4-5-12-10-11-15-14-9(2)16(11)7-6-13-10/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyDVEHWIKQHMUTPC-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.99
Rot. Bonds5

About 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113494041) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113494041
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSC(C)CCNc1nccn2c(C)nnc12
InChIInChI=1S/C11H17N5S/c1-8(17-3)4-5-12-10-11-15-14-9(2)16(11)7-6-13-10/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyDVEHWIKQHMUTPC-UHFFFAOYSA-N
XLogP1.99
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113494041) is 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CSC(C)CCNc1nccn2c(C)nnc12.
What is the InChIKey of 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is DVEHWIKQHMUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8(17-3)4-5-12-10-11-15-14-9(2)16(11)7-6-13-10/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 251.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113494041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).