4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile

C12H20N6 — CID 687903

IUPAC4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile
SMILESCCN(CC)c1nc(C#N)nc(N(CC)CC)n1
InChIInChI=1S/C12H20N6/c1-5-17(6-2)11-14-10(9-13)15-12(16-11)18(7-3)8-4/h5-8H2,1-4H3
InChIKeyHQUSCNPBGZVMTK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds6

About 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile

4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile (PubChem CID 687903) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile
PubChem CID687903
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile
SMILESCCN(CC)c1nc(C#N)nc(N(CC)CC)n1
InChIInChI=1S/C12H20N6/c1-5-17(6-2)11-14-10(9-13)15-12(16-11)18(7-3)8-4/h5-8H2,1-4H3
InChIKeyHQUSCNPBGZVMTK-UHFFFAOYSA-N
XLogP1.44
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4,6-Bis(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 1505725
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 1502246
4-Amino-6-(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 5299858
4,6-Bis(ethylamino)-1,3,5-triazine-2-carbonitrile
CID 30245
3-[(4-Fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
CID 18729075
4-N,4-N,6-trimethyl-2-N,2-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 71844245
3-[[4-[Bis(2-cyanoethyl)amino]-6-propyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile
CID 14022347
2-N,2-N,4-N,4-N-Tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine
CID 101080045
2-N,2-N,4-N,4-N-tetraethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 33385
2-N,2-N,4-N,4-N,6-pentaethyl-1,3,5-triazine-2,4-diamine
CID 33407
N2,N2-diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 13574809

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile (CID 687903) is 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile is CCN(CC)c1nc(C#N)nc(N(CC)CC)n1.
What is the InChIKey of 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is HQUSCNPBGZVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-17(6-2)11-14-10(9-13)15-12(16-11)18(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile?
4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(diethylamino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 687903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).