3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile

C11H17N5 — CID 115306176

IUPAC3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile
SMILESCCC(N)(CC)CNc1nccnc1C#N
InChIInChI=1S/C11H17N5/c1-3-11(13,4-2)8-16-10-9(7-12)14-5-6-15-10/h5-6H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyWCGMMEZYFCWDLZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.28
Rot. Bonds5

About 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile

3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile (PubChem CID 115306176) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile
PubChem CID115306176
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile
SMILESCCC(N)(CC)CNc1nccnc1C#N
InChIInChI=1S/C11H17N5/c1-3-11(13,4-2)8-16-10-9(7-12)14-5-6-15-10/h5-6H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyWCGMMEZYFCWDLZ-UHFFFAOYSA-N
XLogP1.28
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile (CID 115306176) is 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile is CCC(N)(CC)CNc1nccnc1C#N.
What is the InChIKey of 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile?
The InChIKey is WCGMMEZYFCWDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-11(13,4-2)8-16-10-9(7-12)14-5-6-15-10/h5-6H,3-4,8,13H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile?
3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 115306176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).