ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione

C10H17N3O2 — CID 143847945

IUPACethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
SMILESCC.Cn1c(=O)nc2n(c1=O)CCCC2
InChIInChI=1S/C8H11N3O2.C2H6/c1-10-7(12)9-6-4-2-3-5-11(6)8(10)13;1-2/h2-5H2,1H3;1-2H3
InChIKeySFWMCXPQYAWDHO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.30
Rot. Bonds

About ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione

ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 143847945) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Nameethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID143847945
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
SMILESCC.Cn1c(=O)nc2n(c1=O)CCCC2
InChIInChI=1S/C8H11N3O2.C2H6/c1-10-7(12)9-6-4-2-3-5-11(6)8(10)13;1-2/h2-5H2,1H3;1-2H3
InChIKeySFWMCXPQYAWDHO-UHFFFAOYSA-N
XLogP0.30
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935776
1,3,5,8-tetrazatricyclo[7.4.0.03,7]trideca-4,6,8-trien-2-one
CID 130467018
2-[3-(ethylamino)-2-hydroxypropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936134
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
CID 62938208
2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 13382495
2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 83830229
3-bromo-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83681530
2-[2-(propylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935951
2-[4-(methylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936827
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243
2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125453760
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione (CID 143847945) is ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione is CC.Cn1c(=O)nc2n(c1=O)CCCC2.
What is the InChIKey of ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is SFWMCXPQYAWDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.C2H6/c1-10-7(12)9-6-4-2-3-5-11(6)8(10)13;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione?
ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 143847945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).