9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid

C15H20N4O6 — CID 91308702

IUPAC9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
SMILESCN1C(=O)c2c(O)c(=O)c(C(=O)O)cn2C(CN2CCOCC2)N1C
InChIInChI=1S/C15H20N4O6/c1-16-10(8-18-3-5-25-6-4-18)19-7-9(15(23)24)12(20)13(21)11(19)14(22)17(16)2/h7,10,21H,3-6,8H2,1-2H3,(H,23,24)
InChIKeyCQNIZQITIMIEHU-UHFFFAOYSA-N
MW352.35 g/mol
LogP-0.98
Rot. Bonds3

About 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid

9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid (PubChem CID 91308702) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
PubChem CID91308702
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Name9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
SMILESCN1C(=O)c2c(O)c(=O)c(C(=O)O)cn2C(CN2CCOCC2)N1C
InChIInChI=1S/C15H20N4O6/c1-16-10(8-18-3-5-25-6-4-18)19-7-9(15(23)24)12(20)13(21)11(19)14(22)17(16)2/h7,10,21H,3-6,8H2,1-2H3,(H,23,24)
InChIKeyCQNIZQITIMIEHU-UHFFFAOYSA-N
XLogP-0.98
TPSA115.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxylic acid;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
CID 161247346
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671638
2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91284141
(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 122696193
(2S,6R)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 121422009
(1S)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;methane;sulfane
CID 158774046
(4S)-4-benzhydryl-2-(carboxymethyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 70368565
2,11-dihydroxy-9,12-dioxo-1,5,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 91508474
9-hydroxy-2-(2-hydroxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91540634
(4R)-4-benzhydryl-2-(2-ethoxyethyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
CID 56962868
3,9-dihydroxy-2-(3-methoxypropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90869095
5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 91407078

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid (CID 91308702) is 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid is CN1C(=O)c2c(O)c(=O)c(C(=O)O)cn2C(CN2CCOCC2)N1C.
What is the InChIKey of 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
The InChIKey is CQNIZQITIMIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6/c1-16-10(8-18-3-5-25-6-4-18)19-7-9(15(23)24)12(20)13(21)11(19)14(22)17(16)2/h7,10,21H,3-6,8H2,1-2H3,(H,23,24).
What are the key properties of 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 91308702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).