3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile

C13H18N4 — CID 59598857

IUPAC3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC(C)C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-10(2)11-3-7-17(8-4-11)13-12(9-14)15-5-6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyRVHUWDDKEGVEPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.22
Rot. Bonds2

About 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile

3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 59598857) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID59598857
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC(C)C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-10(2)11-3-7-17(8-4-11)13-12(9-14)15-5-6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyRVHUWDDKEGVEPT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 59598857) is 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile is CC(C)C1CCN(c2nccnc2C#N)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is RVHUWDDKEGVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)11-3-7-17(8-4-11)13-12(9-14)15-5-6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 59598857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).