3-pent-4-ynylsulfanylpyrazin-2-amine

C9H11N3S — CID 106678637

IUPAC3-pent-4-ynylsulfanylpyrazin-2-amine
SMILESC#CCCCSc1nccnc1N
InChIInChI=1S/C9H11N3S/c1-2-3-4-7-13-9-8(10)11-5-6-12-9/h1,5-6H,3-4,7H2,(H2,10,11)
InChIKeySGEARGLIPOISDP-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.56
Rot. Bonds4

About 3-pent-4-ynylsulfanylpyrazin-2-amine

3-pent-4-ynylsulfanylpyrazin-2-amine (PubChem CID 106678637) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 3-pent-4-ynylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name3-pent-4-ynylsulfanylpyrazin-2-amine
PubChem CID106678637
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name3-pent-4-ynylsulfanylpyrazin-2-amine
SMILESC#CCCCSc1nccnc1N
InChIInChI=1S/C9H11N3S/c1-2-3-4-7-13-9-8(10)11-5-6-12-9/h1,5-6H,3-4,7H2,(H2,10,11)
InChIKeySGEARGLIPOISDP-UHFFFAOYSA-N
XLogP1.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-ynylsulfanylpyrazin-2-amine?
The IUPAC name of 3-pent-4-ynylsulfanylpyrazin-2-amine (CID 106678637) is 3-pent-4-ynylsulfanylpyrazin-2-amine.
What is the SMILES notation for 3-pent-4-ynylsulfanylpyrazin-2-amine?
The canonical SMILES for 3-pent-4-ynylsulfanylpyrazin-2-amine is C#CCCCSc1nccnc1N.
What is the InChIKey of 3-pent-4-ynylsulfanylpyrazin-2-amine?
The InChIKey is SGEARGLIPOISDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-3-4-7-13-9-8(10)11-5-6-12-9/h1,5-6H,3-4,7H2,(H2,10,11).
What are the key properties of 3-pent-4-ynylsulfanylpyrazin-2-amine?
3-pent-4-ynylsulfanylpyrazin-2-amine has a molecular weight of 193.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-ynylsulfanylpyrazin-2-amine is sourced from PubChem (CID 106678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).