ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate

C18H15N3O2 — CID 555559

IUPACethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H15N3O2/c1-2-23-18(22)17-20-15(13-9-5-3-6-10-13)19-16(21-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyYVGWVLZLUIAWNL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.38
Rot. Bonds4

About ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate

ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate (PubChem CID 555559) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
PubChem CID555559
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Nameethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H15N3O2/c1-2-23-18(22)17-20-15(13-9-5-3-6-10-13)19-16(21-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyYVGWVLZLUIAWNL-UHFFFAOYSA-N
XLogP3.38
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
CID 158970570
CID 158970570
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
CID 86072474
ethyl 3-(6-methyl-2-phenylpyrimidin-4-yl)prop-2-ynoate
CID 15013405
ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404626
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
CID 14639123

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate (CID 555559) is ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate is CCOC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate?
The InChIKey is YVGWVLZLUIAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-23-18(22)17-20-15(13-9-5-3-6-10-13)19-16(21-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate?
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 555559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).