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

C12H17N3O3 — CID 130310663

IUPAC2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1CC
InChIInChI=1S/C12H17N3O3/c1-4-14-7-13-6-8(3)10(16)11(17)9(13)12(18)15(14)5-2/h6,17H,4-5,7H2,1-3H3
InChIKeyRYNSJIWPWMNSRD-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.53
Rot. Bonds2

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

2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130310663) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130310663
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1CC
InChIInChI=1S/C12H17N3O3/c1-4-14-7-13-6-8(3)10(16)11(17)9(13)12(18)15(14)5-2/h6,17H,4-5,7H2,1-3H3
InChIKeyRYNSJIWPWMNSRD-UHFFFAOYSA-N
XLogP0.53
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130310663) is 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is CCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1CC.
What is the InChIKey of 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is RYNSJIWPWMNSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-14-7-13-6-8(3)10(16)11(17)9(13)12(18)15(14)5-2/h6,17H,4-5,7H2,1-3H3.
What are the key properties of 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 251.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-9-hydroxy-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130310663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).