3-(cyclooctylmethylamino)pyrazine-2-carbonitrile

C14H20N4 — CID 133283842

IUPAC3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CCCCCCC1
InChIInChI=1S/C14H20N4/c15-10-13-14(17-9-8-16-13)18-11-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,11H2,(H,17,18)
InChIKeyREUDXSDJDBNURM-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.12
Rot. Bonds3

About 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile

3-(cyclooctylmethylamino)pyrazine-2-carbonitrile (PubChem CID 133283842) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
PubChem CID133283842
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CCCCCCC1
InChIInChI=1S/C14H20N4/c15-10-13-14(17-9-8-16-13)18-11-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,11H2,(H,17,18)
InChIKeyREUDXSDJDBNURM-UHFFFAOYSA-N
XLogP3.12
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64911460
3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 66005273
3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413310
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55247646
3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
N-(cyclohexylmethyl)-3-methylpyridin-2-amine
CID 60960481
3-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284176
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
CID 55210942

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile (CID 133283842) is 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCC1CCCCCCC1.
What is the InChIKey of 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile?
The InChIKey is REUDXSDJDBNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-10-13-14(17-9-8-16-13)18-11-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,11H2,(H,17,18).
What are the key properties of 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile?
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylmethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 133283842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).