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

C17H17N3O3 — CID 148829592

IUPAC5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESC=CCN1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C17H17N3O3/c1-2-9-19-12-18-20-10-8-14(21)16(15(20)17(19)22)23-11-13-6-4-3-5-7-13/h2-8,10,18H,1,9,11-12H2
InChIKeyOTKISGPFIDWQAU-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.57
Rot. Bonds5

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

5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 148829592) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID148829592
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESC=CCN1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C17H17N3O3/c1-2-9-19-12-18-20-10-8-14(21)16(15(20)17(19)22)23-11-13-6-4-3-5-7-13/h2-8,10,18H,1,9,11-12H2
InChIKeyOTKISGPFIDWQAU-UHFFFAOYSA-N
XLogP1.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 146443928
3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 153181713
(3R)-11-phenylmethoxy-5-selena-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 170680784
1-bromo-2-prop-2-enoxybenzene;1-[chloro-(2-fluorophenyl)methyl]-2-prop-2-enoxybenzene;2-fluorobenzaldehyde;(2-fluorophenyl)-(2-prop-2-enoxyphenyl)methanol;1-[(2-fluorophenyl)-(2-prop-2-enoxyphenyl)methyl]-5-phenylmethoxy-3-prop-2-enyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;thionyl dichloride
CID 165111078
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 58489013
5-phenylmethoxy-1-[(2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-3-prop-2-enyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 156780511
1-bromo-2-but-3-enylbenzene;(2-but-3-enylphenyl)-pyridin-2-ylmethanol;1-[(2-but-3-enylphenyl)-pyridin-2-ylmethyl]-5-phenylmethoxy-3-prop-2-enyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;2-[chloro-(2-prop-2-enoxyphenyl)methyl]pyridine;5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;pyridine-2-carbaldehyde;thionyl dichloride
CID 164988367
3-ethyl-2-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 138566946
(2R)-3-(2-methoxyethyl)-2-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 170064827
10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
CID 123782779
10-phenylmethoxyspiro[1,2,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-5,4'-oxane]-8,11-dione
CID 171633632
3-but-3-enyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;3-but-3-enyl-5-phenylmethoxy-1-[(2-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;2-[chloro-(2-prop-2-enylphenyl)methyl]pyridine;17-phenylmethoxy-2-pyridin-2-yl-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3,5,7,10,16,19-hexaene-15,18-dione
CID 165098452

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 148829592) is 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is C=CCN1CNn2ccc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is OTKISGPFIDWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-9-19-12-18-20-10-8-14(21)16(15(20)17(19)22)23-11-13-6-4-3-5-7-13/h2-8,10,18H,1,9,11-12H2.
What are the key properties of 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 311.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 148829592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).