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

C10H15N5S — CID 115663445

IUPACN-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSCCC(C)Nc1nccn2cnnc12
InChIInChI=1S/C10H15N5S/c1-8(3-6-16-2)13-9-10-14-12-7-15(10)5-4-11-9/h4-5,7-8H,3,6H2,1-2H3,(H,11,13)
InChIKeyWIZZCMQPCIDVHK-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.68
Rot. Bonds5

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

N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 115663445) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID115663445
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSCCC(C)Nc1nccn2cnnc12
InChIInChI=1S/C10H15N5S/c1-8(3-6-16-2)13-9-10-14-12-7-15(10)5-4-11-9/h4-5,7-8H,3,6H2,1-2H3,(H,11,13)
InChIKeyWIZZCMQPCIDVHK-UHFFFAOYSA-N
XLogP1.68
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 115663445) is N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CSCCC(C)Nc1nccn2cnnc12.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is WIZZCMQPCIDVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8(3-6-16-2)13-9-10-14-12-7-15(10)5-4-11-9/h4-5,7-8H,3,6H2,1-2H3,(H,11,13).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 237.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 115663445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).