4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine

C19H16N6O — CID 715516

IUPAC4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C19H16N6O/c1-26-19-22-17(24-13-12-20-14-24)21-18(23-19)25(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyONQRAYLUTWMTGL-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.54
Rot. Bonds5

About 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine (PubChem CID 715516) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine
PubChem CID715516
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C19H16N6O/c1-26-19-22-17(24-13-12-20-14-24)21-18(23-19)25(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyONQRAYLUTWMTGL-UHFFFAOYSA-N
XLogP3.54
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine (CID 715516) is 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine is COc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is ONQRAYLUTWMTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-26-19-22-17(24-13-12-20-14-24)21-18(23-19)25(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 344.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-methoxy-N,N-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 715516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).