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

C14H21N3O5 — CID 130310669

IUPAC9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCOCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1CCOC
InChIInChI=1S/C14H21N3O5/c1-10-8-15-9-16(4-6-21-2)17(5-7-22-3)14(20)11(15)13(19)12(10)18/h8,19H,4-7,9H2,1-3H3
InChIKeyBRTHSQBMVNMFMU-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.21
Rot. Bonds6

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

9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130310669) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130310669
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCOCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1CCOC
InChIInChI=1S/C14H21N3O5/c1-10-8-15-9-16(4-6-21-2)17(5-7-22-3)14(20)11(15)13(19)12(10)18/h8,19H,4-7,9H2,1-3H3
InChIKeyBRTHSQBMVNMFMU-UHFFFAOYSA-N
XLogP-0.21
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130310669) is 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is COCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1CCOC.
What is the InChIKey of 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is BRTHSQBMVNMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-10-8-15-9-16(4-6-21-2)17(5-7-22-3)14(20)11(15)13(19)12(10)18/h8,19H,4-7,9H2,1-3H3.
What are the key properties of 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 311.34 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130310669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).