6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C17H17N5O — CID 1070477

IUPAC6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-2-23-17-21-15(18-13-9-5-3-6-10-13)20-16(22-17)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyQNDDJVUGHABLOH-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.76
Rot. Bonds6

About 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 1070477) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID1070477
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-2-23-17-21-15(18-13-9-5-3-6-10-13)20-16(22-17)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyQNDDJVUGHABLOH-UHFFFAOYSA-N
XLogP3.76
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 1070477) is 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is CCOc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QNDDJVUGHABLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-23-17-21-15(18-13-9-5-3-6-10-13)20-16(22-17)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 307.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1070477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).