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

C12H16N4 — CID 62672162

IUPAC3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
SMILESCC1CCCCC1Nc1nccnc1C#N
InChIInChI=1S/C12H16N4/c1-9-4-2-3-5-10(9)16-12-11(8-13)14-6-7-15-12/h6-7,9-10H,2-5H2,1H3,(H,15,16)
InChIKeyZGSPJHBPDBNHFH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds2

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

3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile (PubChem CID 62672162) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
PubChem CID62672162
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
SMILESCC1CCCCC1Nc1nccnc1C#N
InChIInChI=1S/C12H16N4/c1-9-4-2-3-5-10(9)16-12-11(8-13)14-6-7-15-12/h6-7,9-10H,2-5H2,1H3,(H,15,16)
InChIKeyZGSPJHBPDBNHFH-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile (CID 62672162) is 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile is CC1CCCCC1Nc1nccnc1C#N.
What is the InChIKey of 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
The InChIKey is ZGSPJHBPDBNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-2-3-5-10(9)16-12-11(8-13)14-6-7-15-12/h6-7,9-10H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile?
3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62672162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).