2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione

C11H15N3O4 — CID 12774897

IUPAC2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(C2CCCO2)c(=O)n1C1CCCO1
InChIInChI=1S/C11H15N3O4/c15-8-7-12-14(10-4-2-6-18-10)11(16)13(8)9-3-1-5-17-9/h7,9-10H,1-6H2
InChIKeyVMLXMHFPCQUTJO-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.02
Rot. Bonds2

About 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione

2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione (PubChem CID 12774897) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione
PubChem CID12774897
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(C2CCCO2)c(=O)n1C1CCCO1
InChIInChI=1S/C11H15N3O4/c15-8-7-12-14(10-4-2-6-18-10)11(16)13(8)9-3-1-5-17-9/h7,9-10H,1-6H2
InChIKeyVMLXMHFPCQUTJO-UHFFFAOYSA-N
XLogP0.02
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-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

1-[(2S)-oxan-2-yl]indazole
CID 124562379
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 158540944
4-[5-methyl-1-(oxolan-2-yl)pyrazol-4-yl]piperidine
CID 105496710
3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
CID 12502126
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
CID 117232101
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
5-fluoro-1,3-bis[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
CID 76969882
5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
CID 12509177
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione (CID 12774897) is 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione is O=c1cnn(C2CCCO2)c(=O)n1C1CCCO1.
What is the InChIKey of 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione?
The InChIKey is VMLXMHFPCQUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8-7-12-14(10-4-2-6-18-10)11(16)13(8)9-3-1-5-17-9/h7,9-10H,1-6H2.
What are the key properties of 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione?
2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione has a molecular weight of 253.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(oxolan-2-yl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12774897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).