3-(4-butylanilino)pyrazine-2-carbonitrile

C15H16N4 — CID 60620244

IUPAC3-(4-butylanilino)pyrazine-2-carbonitrile
SMILESCCCCc1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C15H16N4/c1-2-3-4-12-5-7-13(8-6-12)19-15-14(11-16)17-9-10-18-15/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyBIROITLQEYQQFI-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.43
Rot. Bonds5

About 3-(4-butylanilino)pyrazine-2-carbonitrile

3-(4-butylanilino)pyrazine-2-carbonitrile (PubChem CID 60620244) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(4-butylanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-butylanilino)pyrazine-2-carbonitrile
PubChem CID60620244
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(4-butylanilino)pyrazine-2-carbonitrile
SMILESCCCCc1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C15H16N4/c1-2-3-4-12-5-7-13(8-6-12)19-15-14(11-16)17-9-10-18-15/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyBIROITLQEYQQFI-UHFFFAOYSA-N
XLogP3.43
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
CID 133398030
3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 62893497
2-(4-butylanilino)pyrimidine-4-carbonitrile
CID 107543659
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460860
3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
CID 133283837
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
N-(4-butylphenyl)-1-methylimidazol-2-amine
CID 106561515
3-(3-propoxyanilino)pyrazine-2-carbonitrile
CID 133282980
3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
CID 133284985
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-butylanilino)pyrazine-2-carbonitrile (CID 60620244) is 3-(4-butylanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-butylanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-butylanilino)pyrazine-2-carbonitrile is CCCCc1ccc(Nc2nccnc2C#N)cc1.
What is the InChIKey of 3-(4-butylanilino)pyrazine-2-carbonitrile?
The InChIKey is BIROITLQEYQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-3-4-12-5-7-13(8-6-12)19-15-14(11-16)17-9-10-18-15/h5-10H,2-4H2,1H3,(H,18,19).
What are the key properties of 3-(4-butylanilino)pyrazine-2-carbonitrile?
3-(4-butylanilino)pyrazine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 60620244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).