2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione

C10H13N3O4 — CID 130255477

IUPAC2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCCN1C(=O)c2c(O)c(=O)c(O)cn2CN1C
InChIInChI=1S/C10H13N3O4/c1-3-13-10(17)7-9(16)8(15)6(14)4-12(7)5-11(13)2/h4,14,16H,3,5H2,1-2H3
InChIKeyGCHNKZOOXJZUHV-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.46
Rot. Bonds1

About 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione

2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130255477) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130255477
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCCN1C(=O)c2c(O)c(=O)c(O)cn2CN1C
InChIInChI=1S/C10H13N3O4/c1-3-13-10(17)7-9(16)8(15)6(14)4-12(7)5-11(13)2/h4,14,16H,3,5H2,1-2H3
InChIKeyGCHNKZOOXJZUHV-UHFFFAOYSA-N
XLogP-0.46
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-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 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130255477) is 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is CCN1C(=O)c2c(O)c(=O)c(O)cn2CN1C.
What is the InChIKey of 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is GCHNKZOOXJZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-13-10(17)7-9(16)8(15)6(14)4-12(7)5-11(13)2/h4,14,16H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 239.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,9-dihydroxy-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130255477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).