N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine

C9H11N3S — CID 63381263

IUPACN-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine
SMILESC#CCNCCSc1cnccn1
InChIInChI=1S/C9H11N3S/c1-2-3-10-6-7-13-9-8-11-4-5-12-9/h1,4-5,8,10H,3,6-7H2
InChIKeyAIQATDLIEPJHHV-UHFFFAOYSA-N
MW193.28 g/mol
LogP0.79
Rot. Bonds5

About N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine

N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine (PubChem CID 63381263) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine
PubChem CID63381263
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine
SMILESC#CCNCCSc1cnccn1
InChIInChI=1S/C9H11N3S/c1-2-3-10-6-7-13-9-8-11-4-5-12-9/h1,4-5,8,10H,3,6-7H2
InChIKeyAIQATDLIEPJHHV-UHFFFAOYSA-N
XLogP0.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 50.79
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 N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine?
The IUPAC name of N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine (CID 63381263) is N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine is C#CCNCCSc1cnccn1.
What is the InChIKey of N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine?
The InChIKey is AIQATDLIEPJHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-3-10-6-7-13-9-8-11-4-5-12-9/h1,4-5,8,10H,3,6-7H2.
What are the key properties of N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine?
N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine has a molecular weight of 193.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 63381263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).