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

C9H11N3O4 — CID 130255051

IUPAC7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1C
InChIInChI=1S/C9H11N3O4/c1-10-4-12-3-5(13)7(14)8(15)6(12)9(16)11(10)2/h3,13,15H,4H2,1-2H3
InChIKeyGBOKTLDARSNRJM-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.85
Rot. Bonds

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

7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130255051) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130255051
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1C
InChIInChI=1S/C9H11N3O4/c1-10-4-12-3-5(13)7(14)8(15)6(12)9(16)11(10)2/h3,13,15H,4H2,1-2H3
InChIKeyGBOKTLDARSNRJM-UHFFFAOYSA-N
XLogP-0.85
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130255051) is 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is CN1Cn2cc(O)c(=O)c(O)c2C(=O)N1C.
What is the InChIKey of 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is GBOKTLDARSNRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-10-4-12-3-5(13)7(14)8(15)6(12)9(16)11(10)2/h3,13,15H,4H2,1-2H3.
What are the key properties of 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 225.20 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-2,3-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130255051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).