5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C17H28N4O4 — CID 70370045

IUPAC5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCCCOc1c2n(c(CN(C)C)cc1=O)NCN(CCOC)C2=O
InChIInChI=1S/C17H28N4O4/c1-5-6-8-25-16-14(22)10-13(11-19(2)3)21-15(16)17(23)20(12-18-21)7-9-24-4/h10,18H,5-9,11-12H2,1-4H3
InChIKeyAMKVPGPLOCGRED-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.69
Rot. Bonds9

About 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 70370045) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID70370045
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCCCOc1c2n(c(CN(C)C)cc1=O)NCN(CCOC)C2=O
InChIInChI=1S/C17H28N4O4/c1-5-6-8-25-16-14(22)10-13(11-19(2)3)21-15(16)17(23)20(12-18-21)7-9-24-4/h10,18H,5-9,11-12H2,1-4H3
InChIKeyAMKVPGPLOCGRED-UHFFFAOYSA-N
XLogP0.69
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 70370045) is 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is CCCCOc1c2n(c(CN(C)C)cc1=O)NCN(CCOC)C2=O.
What is the InChIKey of 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is AMKVPGPLOCGRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-5-6-8-25-16-14(22)10-13(11-19(2)3)21-15(16)17(23)20(12-18-21)7-9-24-4/h10,18H,5-9,11-12H2,1-4H3.
What are the key properties of 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 352.44 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-8-[(dimethylamino)methyl]-3-(2-methoxyethyl)-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 70370045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).