ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate

C15H17N3O2 — CID 86072474

IUPACethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
SMILESCCCc1nc(-c2ccccc2)nnc1C(=O)OCC
InChIInChI=1S/C15H17N3O2/c1-3-8-12-13(15(19)20-4-2)17-18-14(16-12)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyUVPSQRVJMFZNRM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds5

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

ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate (PubChem CID 86072474) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
PubChem CID86072474
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
SMILESCCCc1nc(-c2ccccc2)nnc1C(=O)OCC
InChIInChI=1S/C15H17N3O2/c1-3-8-12-13(15(19)20-4-2)17-18-14(16-12)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyUVPSQRVJMFZNRM-UHFFFAOYSA-N
XLogP2.67
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404626
diethyl 5-propyl-1,2,4-triazine-3,6-dicarboxylate
CID 102379589
ethyl 5-(2-methylanilino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 20851112
ethyl 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404624
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 71228253
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 7-bromo-4-phenyl-2-propylquinoline-3-carboxylate
CID 167448651
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate?
The IUPAC name of ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate (CID 86072474) is ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate?
The canonical SMILES for ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate is CCCc1nc(-c2ccccc2)nnc1C(=O)OCC.
What is the InChIKey of ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate?
The InChIKey is UVPSQRVJMFZNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-12-13(15(19)20-4-2)17-18-14(16-12)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate?
ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate is sourced from PubChem (CID 86072474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).