ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate

C18H14ClN3O3 — CID 71228253

IUPACethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccc2)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O3/c1-2-24-18(23)15-17(25-14-10-6-9-13(19)11-14)20-16(22-21-15)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyOIVNMGXKJLCKMN-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.16
Rot. Bonds5

About ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate

ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate (PubChem CID 71228253) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
PubChem CID71228253
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Nameethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccc2)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O3/c1-2-24-18(23)15-17(25-14-10-6-9-13(19)11-14)20-16(22-21-15)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyOIVNMGXKJLCKMN-UHFFFAOYSA-N
XLogP4.16
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-chlorophenoxy)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazine-6-carboxylate
CID 71228347
ethyl 5-phenoxy-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate
CID 6411671
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 5-(4-cyanophenoxy)-3-(4-phenylmethoxyphenyl)-1,2,4-triazine-6-carboxylate
CID 71228351
ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
CID 86072474
ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404626
ethyl 3-(3-chlorophenoxy)-5,6,7,8-tetrahydrocinnoline-4-carboxylate
CID 162357623
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 5-(2-methylanilino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 20851112
ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
CID 59823678
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate?
The IUPAC name of ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate (CID 71228253) is ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate.
What is the SMILES notation for ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate?
The canonical SMILES for ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate is CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1cccc(Cl)c1.
What is the InChIKey of ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate?
The InChIKey is OIVNMGXKJLCKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-2-24-18(23)15-17(25-14-10-6-9-13(19)11-14)20-16(22-21-15)12-7-4-3-5-8-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate?
ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate has a molecular weight of 355.78 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate is sourced from PubChem (CID 71228253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).