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

C14H12Cl2N4O — CID 133284498

IUPAC3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4O/c15-10-2-3-13(11(16)8-10)21-7-1-4-19-14-12(9-17)18-5-6-20-14/h2-3,5-6,8H,1,4,7H2,(H,19,20)
InChIKeyFZEORYQSHXTZCT-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.54
Rot. Bonds6

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

3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile (PubChem CID 133284498) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
PubChem CID133284498
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4O/c15-10-2-3-13(11(16)8-10)21-7-1-4-19-14-12(9-17)18-5-6-20-14/h2-3,5-6,8H,1,4,7H2,(H,19,20)
InChIKeyFZEORYQSHXTZCT-UHFFFAOYSA-N
XLogP3.54
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile
CID 133342192
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
3-chloro-N-[4-(2,4-dichlorophenoxy)butyl]-4-fluoroaniline
CID 54798338
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809
N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
CID 60695100
4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
CID 133469039
3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284298
2-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 26472030
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile (CID 133284498) is 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile?
The InChIKey is FZEORYQSHXTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-10-2-3-13(11(16)8-10)21-7-1-4-19-14-12(9-17)18-5-6-20-14/h2-3,5-6,8H,1,4,7H2,(H,19,20).
What are the key properties of 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile?
3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile has a molecular weight of 323.18 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).