2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C10H11N3 — CID 594122

IUPAC2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C)C(C#N)=C(C)N1
InChIInChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,13H,1-3H3
InChIKeyVGTGFBRSPOIYFC-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.82
Rot. Bonds

About 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 594122) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID594122
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C)C(C#N)=C(C)N1
InChIInChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,13H,1-3H3
InChIKeyVGTGFBRSPOIYFC-UHFFFAOYSA-N
XLogP1.82
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 594122) is 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(C)C(C#N)=C(C)N1.
What is the InChIKey of 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is VGTGFBRSPOIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,13H,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 594122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).