3-pyrazin-2-ylsulfanylpropan-1-amine

C7H11N3S — CID 63380503

IUPAC3-pyrazin-2-ylsulfanylpropan-1-amine
SMILESNCCCSc1cnccn1
InChIInChI=1S/C7H11N3S/c8-2-1-5-11-7-6-9-3-4-10-7/h3-4,6H,1-2,5,8H2
InChIKeyRRZXBHOUFPWPAP-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.92
Rot. Bonds4

About 3-pyrazin-2-ylsulfanylpropan-1-amine

3-pyrazin-2-ylsulfanylpropan-1-amine (PubChem CID 63380503) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-pyrazin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-pyrazin-2-ylsulfanylpropan-1-amine
PubChem CID63380503
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-pyrazin-2-ylsulfanylpropan-1-amine
SMILESNCCCSc1cnccn1
InChIInChI=1S/C7H11N3S/c8-2-1-5-11-7-6-9-3-4-10-7/h3-4,6H,1-2,5,8H2
InChIKeyRRZXBHOUFPWPAP-UHFFFAOYSA-N
XLogP0.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
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 3-pyrazin-2-ylsulfanylpropan-1-amine?
The IUPAC name of 3-pyrazin-2-ylsulfanylpropan-1-amine (CID 63380503) is 3-pyrazin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3-pyrazin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 3-pyrazin-2-ylsulfanylpropan-1-amine is NCCCSc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylsulfanylpropan-1-amine?
The InChIKey is RRZXBHOUFPWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-2-1-5-11-7-6-9-3-4-10-7/h3-4,6H,1-2,5,8H2.
What are the key properties of 3-pyrazin-2-ylsulfanylpropan-1-amine?
3-pyrazin-2-ylsulfanylpropan-1-amine has a molecular weight of 169.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 63380503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).