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

C13H14N4O2 — CID 6404626

IUPACethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccc2)nc1NC
InChIInChI=1S/C13H14N4O2/c1-3-19-13(18)10-12(14-2)15-11(17-16-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,15,17)
InChIKeyIYJFVSQOXKOXGO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.76
Rot. Bonds4

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

ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate (PubChem CID 6404626) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
PubChem CID6404626
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nameethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccc2)nc1NC
InChIInChI=1S/C13H14N4O2/c1-3-19-13(18)10-12(14-2)15-11(17-16-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,15,17)
InChIKeyIYJFVSQOXKOXGO-UHFFFAOYSA-N
XLogP1.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-methylanilino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 20851112
ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
CID 86072474
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404624
ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 71228253
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 4-bromo-6-(4-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 101042049
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate
CID 10315680
ethyl 5-(2,5-difluoroanilino)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
CID 71228341

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate?
The IUPAC name of ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate (CID 6404626) is ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate.
What is the SMILES notation for ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate?
The canonical SMILES for ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate is CCOC(=O)c1nnc(-c2ccccc2)nc1NC.
What is the InChIKey of ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate?
The InChIKey is IYJFVSQOXKOXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-19-13(18)10-12(14-2)15-11(17-16-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate?
ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate is sourced from PubChem (CID 6404626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).