N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine

C12H16N6S2 — CID 3042727

IUPACN-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine
SMILESc1cnc(NCCSSCCNc2cnccn2)cn1
InChIInChI=1S/C12H16N6S2/c1-3-15-11(9-13-1)17-5-7-19-20-8-6-18-12-10-14-2-4-16-12/h1-4,9-10H,5-8H2,(H,15,17)(H,16,18)
InChIKeyWDZPFJMMFKTLIH-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.17
Rot. Bonds9

About N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine

N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine (PubChem CID 3042727) has the molecular formula C12H16N6S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine
PubChem CID3042727
Molecular FormulaC12H16N6S2
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC NameN-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine
SMILESc1cnc(NCCSSCCNc2cnccn2)cn1
InChIInChI=1S/C12H16N6S2/c1-3-15-11(9-13-1)17-5-7-19-20-8-6-18-12-10-14-2-4-16-12/h1-4,9-10H,5-8H2,(H,15,17)(H,16,18)
InChIKeyWDZPFJMMFKTLIH-UHFFFAOYSA-N
XLogP2.17
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine?
The IUPAC name of N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine (CID 3042727) is N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine?
The canonical SMILES for N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine is c1cnc(NCCSSCCNc2cnccn2)cn1.
What is the InChIKey of N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine?
The InChIKey is WDZPFJMMFKTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S2/c1-3-15-11(9-13-1)17-5-7-19-20-8-6-18-12-10-14-2-4-16-12/h1-4,9-10H,5-8H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine?
N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine has a molecular weight of 308.44 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(pyrazin-2-ylamino)ethyldisulfanyl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 3042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).