3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine

C12H14N4S — CID 113228928

IUPAC3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCCSc1ccccc1
InChIInChI=1S/C12H14N4S/c13-11-12(15-7-6-14-11)16-8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)(H,15,16)
InChIKeyFDMGSSZDGBMPJH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.26
Rot. Bonds5

About 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine

3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine (PubChem CID 113228928) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine
PubChem CID113228928
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCCSc1ccccc1
InChIInChI=1S/C12H14N4S/c13-11-12(15-7-6-14-11)16-8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)(H,15,16)
InChIKeyFDMGSSZDGBMPJH-UHFFFAOYSA-N
XLogP2.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-phenylsulfanylethyl)pyridin-2-amine
CID 61375421
1-methyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 55130602
1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 62939167
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 114051759
2-nitro-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 115585673
2-N-(2-phenylsulfanylethyl)pyrazine-2,6-diamine
CID 78989045
3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine
CID 106193058
5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 63208478
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62698407
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 66326429

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine (CID 113228928) is 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine is Nc1nccnc1NCCSc1ccccc1.
What is the InChIKey of 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine?
The InChIKey is FDMGSSZDGBMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-11-12(15-7-6-14-11)16-8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine?
3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 113228928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).