3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile

C12H18N4 — CID 79470228

IUPAC3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
SMILESCCC(C)CN(CC)c1nccnc1C#N
InChIInChI=1S/C12H18N4/c1-4-10(3)9-16(5-2)12-11(8-13)14-6-7-15-12/h6-7,10H,4-5,9H2,1-3H3
InChIKeyGLXGXMDDNKPOCV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.22
Rot. Bonds5

About 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile

3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile (PubChem CID 79470228) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
PubChem CID79470228
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
SMILESCCC(C)CN(CC)c1nccnc1C#N
InChIInChI=1S/C12H18N4/c1-4-10(3)9-16(5-2)12-11(8-13)14-6-7-15-12/h6-7,10H,4-5,9H2,1-3H3
InChIKeyGLXGXMDDNKPOCV-UHFFFAOYSA-N
XLogP2.22
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
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-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile (CID 79470228) is 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile is CCC(C)CN(CC)c1nccnc1C#N.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile?
The InChIKey is GLXGXMDDNKPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-10(3)9-16(5-2)12-11(8-13)14-6-7-15-12/h6-7,10H,4-5,9H2,1-3H3.
What are the key properties of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile?
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 79470228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).