3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile

C12H17N5 — CID 55104640

IUPAC3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
SMILESCC(Nc1nccnc1C#N)C1CCCNC1
InChIInChI=1S/C12H17N5/c1-9(10-3-2-4-14-8-10)17-12-11(7-13)15-5-6-16-12/h5-6,9-10,14H,2-4,8H2,1H3,(H,16,17)
InChIKeySKBJQHFTQUBZIA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.15
Rot. Bonds3

About 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile

3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile (PubChem CID 55104640) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
PubChem CID55104640
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
SMILESCC(Nc1nccnc1C#N)C1CCCNC1
InChIInChI=1S/C12H17N5/c1-9(10-3-2-4-14-8-10)17-12-11(7-13)15-5-6-16-12/h5-6,9-10,14H,2-4,8H2,1H3,(H,16,17)
InChIKeySKBJQHFTQUBZIA-UHFFFAOYSA-N
XLogP1.15
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-piperidin-3-ylethylamino)pyrazine-2-carboxamide
CID 62685001
3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55247646
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
CID 63758031
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
3-methyl-2-(1-piperidin-3-ylethylamino)benzonitrile
CID 107111358
5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136989298
4,6-dimethyl-N-(1-piperidin-3-ylethyl)pyrimidin-2-amine
CID 62044870
5,6-dimethyl-N-(1-piperidin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62046212
5-methyl-N-(1-piperidin-3-ylethyl)pyridin-2-amine
CID 62045704
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
4,6-dimethyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047083
1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
CID 62047244

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile (CID 55104640) is 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile is CC(Nc1nccnc1C#N)C1CCCNC1.
What is the InChIKey of 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
The InChIKey is SKBJQHFTQUBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(10-3-2-4-14-8-10)17-12-11(7-13)15-5-6-16-12/h5-6,9-10,14H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 55104640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).