3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile

C13H18N4 — CID 55104221

IUPAC3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile
SMILESCC1CCC(N(C)c2nccnc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-10-3-5-11(6-4-10)17(2)13-12(9-14)15-7-8-16-13/h7-8,10-11H,3-6H2,1-2H3
InChIKeySYDCXTLLXWPPKF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.36
Rot. Bonds2

About 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile

3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile (PubChem CID 55104221) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile
PubChem CID55104221
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile
SMILESCC1CCC(N(C)c2nccnc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-10-3-5-11(6-4-10)17(2)13-12(9-14)15-7-8-16-13/h7-8,10-11H,3-6H2,1-2H3
InChIKeySYDCXTLLXWPPKF-UHFFFAOYSA-N
XLogP2.36
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile (CID 55104221) is 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile is CC1CCC(N(C)c2nccnc2C#N)CC1.
What is the InChIKey of 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
The InChIKey is SYDCXTLLXWPPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-5-11(6-4-10)17(2)13-12(9-14)15-7-8-16-13/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylcyclohexyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 55104221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).