(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile

C18H16N6 — CID 24582908

IUPAC(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
SMILESCN(C)c1nc(N)nc(/C(C#N)=C/c2cccc3ccccc23)n1
InChIInChI=1S/C18H16N6/c1-24(2)18-22-16(21-17(20)23-18)14(11-19)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,1-2H3,(H2,20,21,22,23)/b14-10+
InChIKeyGGOQNFWNBZIIFO-GXDHUFHOSA-N
MW316.37 g/mol
LogP2.74
Rot. Bonds3

About (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile

(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile (PubChem CID 24582908) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
PubChem CID24582908
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
SMILESCN(C)c1nc(N)nc(/C(C#N)=C/c2cccc3ccccc23)n1
InChIInChI=1S/C18H16N6/c1-24(2)18-22-16(21-17(20)23-18)14(11-19)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,1-2H3,(H2,20,21,22,23)/b14-10+
InChIKeyGGOQNFWNBZIIFO-GXDHUFHOSA-N
XLogP2.74
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile?
The IUPAC name of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile (CID 24582908) is (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile?
The canonical SMILES for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile is CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc3ccccc23)n1.
What is the InChIKey of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile?
The InChIKey is GGOQNFWNBZIIFO-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H16N6/c1-24(2)18-22-16(21-17(20)23-18)14(11-19)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,1-2H3,(H2,20,21,22,23)/b14-10+.
What are the key properties of (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile?
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile has a molecular weight of 316.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile is sourced from PubChem (CID 24582908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).