N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine

C7H15N3S — CID 90730905

IUPACN-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCSCCNC1=NCCNC1
InChIInChI=1S/C7H15N3S/c1-11-5-4-10-7-6-8-2-3-9-7/h8H,2-6H2,1H3,(H,9,10)
InChIKeyWOEROBUBSBQSIR-UHFFFAOYSA-N
MW173.28 g/mol
LogP-0.06
Rot. Bonds3

About N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine

N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 90730905) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID90730905
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC NameN-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCSCCNC1=NCCNC1
InChIInChI=1S/C7H15N3S/c1-11-5-4-10-7-6-8-2-3-9-7/h8H,2-6H2,1H3,(H,9,10)
InChIKeyWOEROBUBSBQSIR-UHFFFAOYSA-N
XLogP-0.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 90730905) is N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine is CSCCNC1=NCCNC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is WOEROBUBSBQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-11-5-4-10-7-6-8-2-3-9-7/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 173.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 90730905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).