3-(3-phenoxypropylamino)pyrazine-2-carbonitrile

C14H14N4O — CID 55133688

IUPAC3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCOc1ccccc1
InChIInChI=1S/C14H14N4O/c15-11-13-14(18-9-8-16-13)17-7-4-10-19-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10H2,(H,17,18)
InChIKeyZCYXKVBJMYHGQX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.23
Rot. Bonds6

About 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile

3-(3-phenoxypropylamino)pyrazine-2-carbonitrile (PubChem CID 55133688) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
PubChem CID55133688
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCOc1ccccc1
InChIInChI=1S/C14H14N4O/c15-11-13-14(18-9-8-16-13)17-7-4-10-19-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10H2,(H,17,18)
InChIKeyZCYXKVBJMYHGQX-UHFFFAOYSA-N
XLogP2.23
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.23
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-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509
3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284498
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 133284487
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile (CID 55133688) is 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCOc1ccccc1.
What is the InChIKey of 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile?
The InChIKey is ZCYXKVBJMYHGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-11-13-14(18-9-8-16-13)17-7-4-10-19-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10H2,(H,17,18).
What are the key properties of 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile?
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 55133688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).