2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile

C16H18N4S — CID 116693349

IUPAC2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile
SMILESCCNC(C#N)(CCSc1cnccn1)c1ccccc1
InChIInChI=1S/C16H18N4S/c1-2-20-16(13-17,14-6-4-3-5-7-14)8-11-21-15-12-18-9-10-19-15/h3-7,9-10,12,20H,2,8,11H2,1H3
InChIKeyIMNGKXZGRBCHEU-UHFFFAOYSA-N
MW298.42 g/mol
LogP2.99
Rot. Bonds7

About 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile

2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile (PubChem CID 116693349) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile
PubChem CID116693349
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile
SMILESCCNC(C#N)(CCSc1cnccn1)c1ccccc1
InChIInChI=1S/C16H18N4S/c1-2-20-16(13-17,14-6-4-3-5-7-14)8-11-21-15-12-18-9-10-19-15/h3-7,9-10,12,20H,2,8,11H2,1H3
InChIKeyIMNGKXZGRBCHEU-UHFFFAOYSA-N
XLogP2.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 116695604
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
methyl 2-amino-2-phenyl-4-pyrazin-2-ylsulfanylbutanoate
CID 116694735
2-(ethylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanenitrile
CID 116693325
2-phenyl-2-(propylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanenitrile
CID 116693102
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-(1,3-oxazol-2-ylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 106924647
2-(ethylamino)-3-(3-methylbutylsulfanyl)-2-phenylpropanenitrile
CID 107755086
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile?
The IUPAC name of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile (CID 116693349) is 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile is CCNC(C#N)(CCSc1cnccn1)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile?
The InChIKey is IMNGKXZGRBCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-20-16(13-17,14-6-4-3-5-7-14)8-11-21-15-12-18-9-10-19-15/h3-7,9-10,12,20H,2,8,11H2,1H3.
What are the key properties of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile?
2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile has a molecular weight of 298.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile is sourced from PubChem (CID 116693349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).