5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C12H17N3O4 — CID 130310659

IUPAC5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(C)n2cc(C)c(=O)c(O)c2C1=O
InChIInChI=1S/C12H17N3O4/c1-8-6-15-9(11(17)10(8)16)12(18)14(4-5-19-3)7-13(15)2/h6,17H,4-5,7H2,1-3H3
InChIKeyDZYMKEWQECXIMS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.51
Rot. Bonds3

About 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 130310659) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID130310659
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(C)n2cc(C)c(=O)c(O)c2C1=O
InChIInChI=1S/C12H17N3O4/c1-8-6-15-9(11(17)10(8)16)12(18)14(4-5-19-3)7-13(15)2/h6,17H,4-5,7H2,1-3H3
InChIKeyDZYMKEWQECXIMS-UHFFFAOYSA-N
XLogP-0.51
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[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-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 130310659) is 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is COCCN1CN(C)n2cc(C)c(=O)c(O)c2C1=O.
What is the InChIKey of 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is DZYMKEWQECXIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-15-9(11(17)10(8)16)12(18)14(4-5-19-3)7-13(15)2/h6,17H,4-5,7H2,1-3H3.
What are the key properties of 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 267.28 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-methoxyethyl)-1,7-dimethyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 130310659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).