6-(cycloheptylmethylamino)pyrazine-2-carbonitrile

C13H18N4 — CID 136548329

IUPAC6-(cycloheptylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(NCC2CCCCCC2)n1
InChIInChI=1S/C13H18N4/c14-7-12-9-15-10-13(17-12)16-8-11-5-3-1-2-4-6-11/h9-11H,1-6,8H2,(H,16,17)
InChIKeyFQHMKAJJMMOHKR-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.73
Rot. Bonds3

About 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile

6-(cycloheptylmethylamino)pyrazine-2-carbonitrile (PubChem CID 136548329) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(cycloheptylmethylamino)pyrazine-2-carbonitrile
PubChem CID136548329
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-(cycloheptylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(NCC2CCCCCC2)n1
InChIInChI=1S/C13H18N4/c14-7-12-9-15-10-13(17-12)16-8-11-5-3-1-2-4-6-11/h9-11H,1-6,8H2,(H,16,17)
InChIKeyFQHMKAJJMMOHKR-UHFFFAOYSA-N
XLogP2.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile (CID 136548329) is 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile is N#Cc1cncc(NCC2CCCCCC2)n1.
What is the InChIKey of 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile?
The InChIKey is FQHMKAJJMMOHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-7-12-9-15-10-13(17-12)16-8-11-5-3-1-2-4-6-11/h9-11H,1-6,8H2,(H,16,17).
What are the key properties of 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile?
6-(cycloheptylmethylamino)pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylmethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 136548329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).