4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C19H22N6 — CID 712290

IUPAC4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H22N6/c1-3-24(4-2)18-21-17(20)22-19(23-18)25(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,20,21,22,23)
InChIKeyDDKHJZWHMUZSGF-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.77
Rot. Bonds6

About 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine

4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 712290) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID712290
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H22N6/c1-3-24(4-2)18-21-17(20)22-19(23-18)25(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,20,21,22,23)
InChIKeyDDKHJZWHMUZSGF-UHFFFAOYSA-N
XLogP3.77
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 712290) is 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DDKHJZWHMUZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-3-24(4-2)18-21-17(20)22-19(23-18)25(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 334.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 712290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).