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

C14H21N3O4 — CID 130310664

IUPAC9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCOCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1C(C)C
InChIInChI=1S/C14H21N3O4/c1-9(2)17-14(20)11-13(19)12(18)10(3)7-15(11)8-16(17)5-6-21-4/h7,9,19H,5-6,8H2,1-4H3
InChIKeyUEAXBNQCYHFANB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.55
Rot. Bonds4

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

9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130310664) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130310664
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCOCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1C(C)C
InChIInChI=1S/C14H21N3O4/c1-9(2)17-14(20)11-13(19)12(18)10(3)7-15(11)8-16(17)5-6-21-4/h7,9,19H,5-6,8H2,1-4H3
InChIKeyUEAXBNQCYHFANB-UHFFFAOYSA-N
XLogP0.55
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130310664) is 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is COCCN1Cn2cc(C)c(=O)c(O)c2C(=O)N1C(C)C.
What is the InChIKey of 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is UEAXBNQCYHFANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(2)17-14(20)11-13(19)12(18)10(3)7-15(11)8-16(17)5-6-21-4/h7,9,19H,5-6,8H2,1-4H3.
What are the key properties of 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 295.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(2-methoxyethyl)-7-methyl-2-propan-2-yl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130310664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).