6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C11H14N6O3 — CID 14823832

IUPAC6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(N3CCOCC3)nnc2n(C)c1=O
InChIInChI=1S/C11H14N6O3/c1-15-8-7(9(18)16(2)11(15)19)12-10(14-13-8)17-3-5-20-6-4-17/h3-6H2,1-2H3
InChIKeyIDTMRCSJLPXGRV-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.74
Rot. Bonds1

About 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 14823832) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID14823832
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(N3CCOCC3)nnc2n(C)c1=O
InChIInChI=1S/C11H14N6O3/c1-15-8-7(9(18)16(2)11(15)19)12-10(14-13-8)17-3-5-20-6-4-17/h3-6H2,1-2H3
InChIKeyIDTMRCSJLPXGRV-UHFFFAOYSA-N
XLogP-1.74
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 14823832) is 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(N3CCOCC3)nnc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is IDTMRCSJLPXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-15-8-7(9(18)16(2)11(15)19)12-10(14-13-8)17-3-5-20-6-4-17/h3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 278.27 g/mol, XLogP of -1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 14823832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).