N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine

C12H16N4S — CID 115637702

IUPACN-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCSCCC(C)Nc1ccc2nccnc2n1
InChIInChI=1S/C12H16N4S/c1-9(5-8-17-2)15-11-4-3-10-12(16-11)14-7-6-13-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,15,16)
InChIKeyAOXAPSXGQHMXSH-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.58
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine

N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 115637702) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID115637702
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCSCCC(C)Nc1ccc2nccnc2n1
InChIInChI=1S/C12H16N4S/c1-9(5-8-17-2)15-11-4-3-10-12(16-11)14-7-6-13-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,15,16)
InChIKeyAOXAPSXGQHMXSH-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine (CID 115637702) is N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine is CSCCC(C)Nc1ccc2nccnc2n1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is AOXAPSXGQHMXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(5-8-17-2)15-11-4-3-10-12(16-11)14-7-6-13-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 248.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 115637702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).