2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile

C12H20N4 — CID 84740330

IUPAC2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1nc(C)n(C)c1C
InChIInChI=1S/C12H20N4/c1-6-16(7-2)11(8-13)12-9(3)15(5)10(4)14-12/h11H,6-7H2,1-5H3
InChIKeyAJXJFZQOMKZKRJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds4

About 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile

2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile (PubChem CID 84740330) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile
PubChem CID84740330
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1nc(C)n(C)c1C
InChIInChI=1S/C12H20N4/c1-6-16(7-2)11(8-13)12-9(3)15(5)10(4)14-12/h11H,6-7H2,1-5H3
InChIKeyAJXJFZQOMKZKRJ-UHFFFAOYSA-N
XLogP1.94
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile (CID 84740330) is 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile is CCN(CC)C(C#N)c1nc(C)n(C)c1C.
What is the InChIKey of 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile?
The InChIKey is AJXJFZQOMKZKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-16(7-2)11(8-13)12-9(3)15(5)10(4)14-12/h11H,6-7H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile?
2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile has a molecular weight of 220.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 84740330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).