N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine

C11H14N4S — CID 78995491

IUPACN-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCSCCCNc1ccc2nccnc2n1
InChIInChI=1S/C11H14N4S/c1-16-8-2-5-13-10-4-3-9-11(15-10)14-7-6-12-9/h3-4,6-7H,2,5,8H2,1H3,(H,13,14,15)
InChIKeyIJEUKCVHJLBTBO-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.19
Rot. Bonds5

About N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine

N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 78995491) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID78995491
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCSCCCNc1ccc2nccnc2n1
InChIInChI=1S/C11H14N4S/c1-16-8-2-5-13-10-4-3-9-11(15-10)14-7-6-12-9/h3-4,6-7H,2,5,8H2,1H3,(H,13,14,15)
InChIKeyIJEUKCVHJLBTBO-UHFFFAOYSA-N
XLogP2.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)pyrido[2,3-b]pyrazin-6-amine
CID 130478045
N-(3-butoxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115599008
N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 115637702
N-(2-ethylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 103658809
N-(2-methylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955171
N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78988496
N-(2-cyclopropylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 79033935
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
N'-pyrido[2,3-b]pyrazin-6-yl-N-quinolin-2-ylethane-1,2-diamine
CID 133309761
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
N-(3-methyl-2-propan-2-ylbutyl)pyrido[2,3-b]pyrazin-6-amine
CID 102913962
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine (CID 78995491) is N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine is CSCCCNc1ccc2nccnc2n1.
What is the InChIKey of N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is IJEUKCVHJLBTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-16-8-2-5-13-10-4-3-9-11(15-10)14-7-6-12-9/h3-4,6-7H,2,5,8H2,1H3,(H,13,14,15).
What are the key properties of N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine?
N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 234.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 78995491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).