3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile

C14H14N4 — CID 13244471

IUPAC3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile
SMILESCc1ccc(C2(C)CNC(C#N)=C(C#N)N2)cc1
InChIInChI=1S/C14H14N4/c1-10-3-5-11(6-4-10)14(2)9-17-12(7-15)13(8-16)18-14/h3-6,17-18H,9H2,1-2H3
InChIKeyHJTAFDYTTILTCU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.66
Rot. Bonds1

About 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile

3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile (PubChem CID 13244471) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile.

Molecular Properties

Compound Name3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile
PubChem CID13244471
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile
SMILESCc1ccc(C2(C)CNC(C#N)=C(C#N)N2)cc1
InChIInChI=1S/C14H14N4/c1-10-3-5-11(6-4-10)14(2)9-17-12(7-15)13(8-16)18-14/h3-6,17-18H,9H2,1-2H3
InChIKeyHJTAFDYTTILTCU-UHFFFAOYSA-N
XLogP1.66
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277
5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
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4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 118493270
3,3-dimethyl-1-(4-methylphenyl)cyclobutane-1-carbonitrile
CID 65000494
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine
CID 171443253
5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
CID 115036461
(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one
CID 145461483
4-(4-hydroxy-3,5-dimethylphenyl)-4-methylimidazolidin-2-one
CID 90753386
3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143365139
4-(3-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458750
1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
CID 121221553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile?
The IUPAC name of 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile (CID 13244471) is 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile.
What is the SMILES notation for 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile?
The canonical SMILES for 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile is Cc1ccc(C2(C)CNC(C#N)=C(C#N)N2)cc1.
What is the InChIKey of 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile?
The InChIKey is HJTAFDYTTILTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-3-5-11(6-4-10)14(2)9-17-12(7-15)13(8-16)18-14/h3-6,17-18H,9H2,1-2H3.
What are the key properties of 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile?
3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile has a molecular weight of 238.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methylphenyl)-2,4-dihydro-1H-pyrazine-5,6-dicarbonitrile is sourced from PubChem (CID 13244471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).