3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile

C13H18N4 — CID 62685039

IUPAC3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCCCC1)c1nccnc1C#N
InChIInChI=1S/C13H18N4/c1-17(10-11-5-3-2-4-6-11)13-12(9-14)15-7-8-16-13/h7-8,11H,2-6,10H2,1H3
InChIKeySZZYLJXTQVRKOA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.36
Rot. Bonds3

About 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile

3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile (PubChem CID 62685039) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile
PubChem CID62685039
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCCCC1)c1nccnc1C#N
InChIInChI=1S/C13H18N4/c1-17(10-11-5-3-2-4-6-11)13-12(9-14)15-7-8-16-13/h7-8,11H,2-6,10H2,1H3
InChIKeySZZYLJXTQVRKOA-UHFFFAOYSA-N
XLogP2.36
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
CID 62684696
3-[methyl(propyl)amino]pyrazine-2-carbonitrile
CID 62685552
3-[ethyl(piperidin-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 106643570
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
CID 129336506
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
CID 79719645
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 124872549
3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 55104221
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
3-[methyl-(3-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62685040

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile (CID 62685039) is 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile is CN(CC1CCCCC1)c1nccnc1C#N.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile?
The InChIKey is SZZYLJXTQVRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(10-11-5-3-2-4-6-11)13-12(9-14)15-7-8-16-13/h7-8,11H,2-6,10H2,1H3.
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile?
3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62685039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).