3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile

C14H12Cl2N4 — CID 133342192

IUPAC3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c15-11-4-3-10(12(16)8-11)2-1-5-19-14-13(9-17)18-6-7-20-14/h3-4,6-8H,1-2,5H2,(H,19,20)
InChIKeyMOAUJZUJNVBTBM-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.70
Rot. Bonds5

About 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile

3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile (PubChem CID 133342192) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile
PubChem CID133342192
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c15-11-4-3-10(12(16)8-11)2-1-5-19-14-13(9-17)18-6-7-20-14/h3-4,6-8H,1-2,5H2,(H,19,20)
InChIKeyMOAUJZUJNVBTBM-UHFFFAOYSA-N
XLogP3.70
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.70
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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Related Compounds

3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284498
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
2-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 26472030
3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284298
2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 43395438
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
N-[3-(2,4-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111549402
3-[[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carbonitrile
CID 96566519
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile
CID 133283909

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile (CID 133342192) is 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile?
The InChIKey is MOAUJZUJNVBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c15-11-4-3-10(12(16)8-11)2-1-5-19-14-13(9-17)18-6-7-20-14/h3-4,6-8H,1-2,5H2,(H,19,20).
What are the key properties of 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile?
3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile has a molecular weight of 307.18 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133342192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).