4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile

C19H16N4O — CID 144996685

IUPAC4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
SMILESCOc1nc(-c2ccc(C#N)cc2)c(-c2ccc(C)cc2)nc1N
InChIInChI=1S/C19H16N4O/c1-12-3-7-14(8-4-12)16-17(23-19(24-2)18(21)22-16)15-9-5-13(11-20)6-10-15/h3-10H,1-2H3,(H2,21,22)
InChIKeyYOUPGABJOYLIEM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.58
Rot. Bonds3

About 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile

4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile (PubChem CID 144996685) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
PubChem CID144996685
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
SMILESCOc1nc(-c2ccc(C#N)cc2)c(-c2ccc(C)cc2)nc1N
InChIInChI=1S/C19H16N4O/c1-12-3-7-14(8-4-12)16-17(23-19(24-2)18(21)22-16)15-9-5-13(11-20)6-10-15/h3-10H,1-2H3,(H2,21,22)
InChIKeyYOUPGABJOYLIEM-UHFFFAOYSA-N
XLogP3.58
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyanophenyl)-8-methoxy-N-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 144997084
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
5-amino-6-methoxypyrazine-2,3-dicarbonitrile
CID 82254069
4-methoxy(13C)benzonitrile
CID 175991125
4-[3-amino-5-(4-methylphenoxy)phenoxy]benzonitrile
CID 90871272
4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
CID 55048115
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
4-(3-methoxy-2-pyridinyl)benzonitrile
CID 67291948
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
4-(6-amino-3-bromo-2-pyridinyl)benzonitrile
CID 122582132

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile?
The IUPAC name of 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile (CID 144996685) is 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile is COc1nc(-c2ccc(C#N)cc2)c(-c2ccc(C)cc2)nc1N.
What is the InChIKey of 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile?
The InChIKey is YOUPGABJOYLIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-3-7-14(8-4-12)16-17(23-19(24-2)18(21)22-16)15-9-5-13(11-20)6-10-15/h3-10H,1-2H3,(H2,21,22).
What are the key properties of 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile?
4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 144996685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).