3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile

C11H16N4 — CID 83065176

IUPAC3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nccnc1C
InChIInChI=1S/C11H16N4/c1-4-15(8-9(2)7-12)11-10(3)13-5-6-14-11/h5-6,9H,4,8H2,1-3H3
InChIKeyCOHZJKYEILMGLB-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.77
Rot. Bonds4

About 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile

3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile (PubChem CID 83065176) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
PubChem CID83065176
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nccnc1C
InChIInChI=1S/C11H16N4/c1-4-15(8-9(2)7-12)11-10(3)13-5-6-14-11/h5-6,9H,4,8H2,1-3H3
InChIKeyCOHZJKYEILMGLB-UHFFFAOYSA-N
XLogP1.77
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile (CID 83065176) is 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1nccnc1C.
What is the InChIKey of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile?
The InChIKey is COHZJKYEILMGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-15(8-9(2)7-12)11-10(3)13-5-6-14-11/h5-6,9H,4,8H2,1-3H3.
What are the key properties of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile?
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile has a molecular weight of 204.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 83065176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).