5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile

C14H11N5 — CID 13336955

IUPAC5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
SMILESCCNc1nc(C#N)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C14H11N5/c1-2-17-14-13(10-6-4-3-5-7-10)18-11(8-15)12(9-16)19-14/h3-7H,2H2,1H3,(H,17,19)
InChIKeyWQRUYWHPVVDBKN-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.32
Rot. Bonds3

About 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile

5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile (PubChem CID 13336955) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
PubChem CID13336955
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
SMILESCCNc1nc(C#N)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C14H11N5/c1-2-17-14-13(10-6-4-3-5-7-10)18-11(8-15)12(9-16)19-14/h3-7H,2H2,1H3,(H,17,19)
InChIKeyWQRUYWHPVVDBKN-UHFFFAOYSA-N
XLogP2.32
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Methyl(2-(Methylamino)ethyl)amino)benzonitrile
CID 91808026
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
3-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
CID 134686794
6-Phenyl-2-piperazin-1-yl-pyrimidine-4-carbonitrile
CID 921237
3-(Benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749177
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 797798
(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 44409124
2-Methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazine-5,7-diamine
CID 459857

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile (CID 13336955) is 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile is CCNc1nc(C#N)c(C#N)nc1-c1ccccc1.
What is the InChIKey of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
The InChIKey is WQRUYWHPVVDBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-17-14-13(10-6-4-3-5-7-10)18-11(8-15)12(9-16)19-14/h3-7H,2H2,1H3,(H,17,19).
What are the key properties of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13336955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).