N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine

C21H16N4O2 — CID 3094632

IUPACN,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
SMILESC#CCOc1nc(OCC#C)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H16N4O2/c1-3-15-26-20-22-19(23-21(24-20)27-16-4-2)25(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1-2,5-14H,15-16H2
InChIKeyKUFZFRDGUOZDPJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.37
Rot. Bonds7

About N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine

N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine (PubChem CID 3094632) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
PubChem CID3094632
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
SMILESC#CCOc1nc(OCC#C)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H16N4O2/c1-3-15-26-20-22-19(23-21(24-20)27-16-4-2)25(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1-2,5-14H,15-16H2
InChIKeyKUFZFRDGUOZDPJ-UHFFFAOYSA-N
XLogP3.37
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine (CID 3094632) is N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine is C#CCOc1nc(OCC#C)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The InChIKey is KUFZFRDGUOZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-3-15-26-20-22-19(23-21(24-20)27-16-4-2)25(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1-2,5-14H,15-16H2.
What are the key properties of N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine has a molecular weight of 356.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3094632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).