9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione

C11H13N3O2 — CID 154097501

IUPAC9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
SMILESCc1cccn2c(=O)n(C(C)C)c(=O)nc12
InChIInChI=1S/C11H13N3O2/c1-7(2)14-10(15)12-9-8(3)5-4-6-13(9)11(14)16/h4-7H,1-3H3
InChIKeySWDGCDBNVOJSLX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.75
Rot. Bonds1

About 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione

9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 154097501) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID154097501
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
SMILESCc1cccn2c(=O)n(C(C)C)c(=O)nc12
InChIInChI=1S/C11H13N3O2/c1-7(2)14-10(15)12-9-8(3)5-4-6-13(9)11(14)16/h4-7H,1-3H3
InChIKeySWDGCDBNVOJSLX-UHFFFAOYSA-N
XLogP0.75
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529691
3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 118424269
1-(8-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82029456
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
(8-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82506589
5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4678339
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82029435
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione (CID 154097501) is 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione is Cc1cccn2c(=O)n(C(C)C)c(=O)nc12.
What is the InChIKey of 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is SWDGCDBNVOJSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)14-10(15)12-9-8(3)5-4-6-13(9)11(14)16/h4-7H,1-3H3.
What are the key properties of 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione?
9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 154097501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).