3-(3-aminopropylsulfanyl)pyrazin-2-amine

C7H12N4S — CID 106678432

IUPAC3-(3-aminopropylsulfanyl)pyrazin-2-amine
SMILESNCCCSc1nccnc1N
InChIInChI=1S/C7H12N4S/c8-2-1-5-12-7-6(9)10-3-4-11-7/h3-4H,1-2,5,8H2,(H2,9,10)
InChIKeyUAHZFXBKDPRGQG-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.50
Rot. Bonds4

About 3-(3-aminopropylsulfanyl)pyrazin-2-amine

3-(3-aminopropylsulfanyl)pyrazin-2-amine (PubChem CID 106678432) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 3-(3-aminopropylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-aminopropylsulfanyl)pyrazin-2-amine
PubChem CID106678432
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name3-(3-aminopropylsulfanyl)pyrazin-2-amine
SMILESNCCCSc1nccnc1N
InChIInChI=1S/C7H12N4S/c8-2-1-5-12-7-6(9)10-3-4-11-7/h3-4H,1-2,5,8H2,(H2,9,10)
InChIKeyUAHZFXBKDPRGQG-UHFFFAOYSA-N
XLogP0.50
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-aminopropylsulfanyl)pyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(3-aminopropylsulfanyl)pyrazin-2-amine (CID 106678432) is 3-(3-aminopropylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-aminopropylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(3-aminopropylsulfanyl)pyrazin-2-amine is NCCCSc1nccnc1N.
What is the InChIKey of 3-(3-aminopropylsulfanyl)pyrazin-2-amine?
The InChIKey is UAHZFXBKDPRGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c8-2-1-5-12-7-6(9)10-3-4-11-7/h3-4H,1-2,5,8H2,(H2,9,10).
What are the key properties of 3-(3-aminopropylsulfanyl)pyrazin-2-amine?
3-(3-aminopropylsulfanyl)pyrazin-2-amine has a molecular weight of 184.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106678432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).