3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C16H17N3O3 — CID 146443928

IUPAC3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCN1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C16H17N3O3/c1-2-18-11-17-19-9-8-13(20)15(14(19)16(18)21)22-10-12-6-4-3-5-7-12/h3-9,17H,2,10-11H2,1H3
InChIKeySWJCUUSQOTYPHA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.40
Rot. Bonds4

About 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 146443928) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID146443928
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCN1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C16H17N3O3/c1-2-18-11-17-19-9-8-13(20)15(14(19)16(18)21)22-10-12-6-4-3-5-7-12/h3-9,17H,2,10-11H2,1H3
InChIKeySWJCUUSQOTYPHA-UHFFFAOYSA-N
XLogP1.40
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 153181713
5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 148829592
3-ethyl-2-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 138566946
(3R)-11-phenylmethoxy-5-selena-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 170680784
(2R)-3-(2-methoxyethyl)-2-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 170064827
10-phenylmethoxyspiro[1,2,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-5,4'-oxane]-8,11-dione
CID 171633632
(3,3-dimethyl-6-oxo-5-phenylmethoxy-2,4-dihydro-1H-pyrido[1,2-b]pyridazin-4-yl) hydrogen carbonate
CID 175036090
2-[2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetic acid
CID 86613556
7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 156560645
2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione
CID 122660359
10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
CID 123782779
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 146443928) is 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is CCN1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is SWJCUUSQOTYPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-18-11-17-19-9-8-13(20)15(14(19)16(18)21)22-10-12-6-4-3-5-7-12/h3-9,17H,2,10-11H2,1H3.
What are the key properties of 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 299.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 146443928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).