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

C13H18N4 — CID 62684696

IUPAC3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(c1nccnc1C#N)C1CCCCCC1
InChIInChI=1S/C13H18N4/c1-17(11-6-4-2-3-5-7-11)13-12(10-14)15-8-9-16-13/h8-9,11H,2-7H2,1H3
InChIKeyCJBXOAKJZDSYMP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.51
Rot. Bonds2

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

3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile (PubChem CID 62684696) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
PubChem CID62684696
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(c1nccnc1C#N)C1CCCCCC1
InChIInChI=1S/C13H18N4/c1-17(11-6-4-2-3-5-7-11)13-12(10-14)15-8-9-16-13/h8-9,11H,2-7H2,1H3
InChIKeyCJBXOAKJZDSYMP-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile (CID 62684696) is 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile is CN(c1nccnc1C#N)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile?
The InChIKey is CJBXOAKJZDSYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(11-6-4-2-3-5-7-11)13-12(10-14)15-8-9-16-13/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile?
3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62684696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).