3-(3-propoxyanilino)pyrazine-2-carbonitrile

C14H14N4O — CID 133282980

IUPAC3-(3-propoxyanilino)pyrazine-2-carbonitrile
SMILESCCCOc1cccc(Nc2nccnc2C#N)c1
InChIInChI=1S/C14H14N4O/c1-2-8-19-12-5-3-4-11(9-12)18-14-13(10-15)16-6-7-17-14/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyWUFBNMBPSHLKJS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds5

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

3-(3-propoxyanilino)pyrazine-2-carbonitrile (PubChem CID 133282980) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-propoxyanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-propoxyanilino)pyrazine-2-carbonitrile
PubChem CID133282980
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(3-propoxyanilino)pyrazine-2-carbonitrile
SMILESCCCOc1cccc(Nc2nccnc2C#N)c1
InChIInChI=1S/C14H14N4O/c1-2-8-19-12-5-3-4-11(9-12)18-14-13(10-15)16-6-7-17-14/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyWUFBNMBPSHLKJS-UHFFFAOYSA-N
XLogP2.88
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
CID 133302111
N-phenyl-3-propoxyaniline
CID 71334741
3-[3-(2-phenylethoxymethyl)anilino]pyrazine-2-carbonitrile
CID 133284293
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
3-[(3-propoxyanilino)methyl]benzonitrile
CID 43435811
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133284272
5-[(3-propoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675673
3-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133284148

Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxyanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-propoxyanilino)pyrazine-2-carbonitrile (CID 133282980) is 3-(3-propoxyanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-propoxyanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-propoxyanilino)pyrazine-2-carbonitrile is CCCOc1cccc(Nc2nccnc2C#N)c1.
What is the InChIKey of 3-(3-propoxyanilino)pyrazine-2-carbonitrile?
The InChIKey is WUFBNMBPSHLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-8-19-12-5-3-4-11(9-12)18-14-13(10-15)16-6-7-17-14/h3-7,9H,2,8H2,1H3,(H,17,18).
What are the key properties of 3-(3-propoxyanilino)pyrazine-2-carbonitrile?
3-(3-propoxyanilino)pyrazine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxyanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 133282980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).