5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C17H27N3O4 — CID 67471780

IUPAC5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCCCOc1c2n(ccc1=O)NC(CCOC)N(C(C)C)C2=O
InChIInChI=1S/C17H27N3O4/c1-5-6-10-24-16-13(21)7-9-19-15(16)17(22)20(12(2)3)14(18-19)8-11-23-4/h7,9,12,14,18H,5-6,8,10-11H2,1-4H3
InChIKeyWMTHDOXLFYZVMP-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.80
Rot. Bonds8

About 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 67471780) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID67471780
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCCCOc1c2n(ccc1=O)NC(CCOC)N(C(C)C)C2=O
InChIInChI=1S/C17H27N3O4/c1-5-6-10-24-16-13(21)7-9-19-15(16)17(22)20(12(2)3)14(18-19)8-11-23-4/h7,9,12,14,18H,5-6,8,10-11H2,1-4H3
InChIKeyWMTHDOXLFYZVMP-UHFFFAOYSA-N
XLogP1.80
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 67471780) is 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is CCCCOc1c2n(ccc1=O)NC(CCOC)N(C(C)C)C2=O.
What is the InChIKey of 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is WMTHDOXLFYZVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-6-10-24-16-13(21)7-9-19-15(16)17(22)20(12(2)3)14(18-19)8-11-23-4/h7,9,12,14,18H,5-6,8,10-11H2,1-4H3.
What are the key properties of 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 337.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-(2-methoxyethyl)-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 67471780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).