7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione

C13H19N3O6 — CID 130255132

IUPAC7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCOCCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1CCOC
InChIInChI=1S/C13H19N3O6/c1-21-5-3-15-8-14-7-9(17)11(18)12(19)10(14)13(20)16(15)4-6-22-2/h7,17,19H,3-6,8H2,1-2H3
InChIKeyLTIZRVKSKYJZJY-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.82
Rot. Bonds6

About 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione

7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130255132) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130255132
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCOCCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1CCOC
InChIInChI=1S/C13H19N3O6/c1-21-5-3-15-8-14-7-9(17)11(18)12(19)10(14)13(20)16(15)4-6-22-2/h7,17,19H,3-6,8H2,1-2H3
InChIKeyLTIZRVKSKYJZJY-UHFFFAOYSA-N
XLogP-0.82
TPSA104.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130255132) is 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is COCCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1CCOC.
What is the InChIKey of 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is LTIZRVKSKYJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-21-5-3-15-8-14-7-9(17)11(18)12(19)10(14)13(20)16(15)4-6-22-2/h7,17,19H,3-6,8H2,1-2H3.
What are the key properties of 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 313.31 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130255132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).