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

C12H10N6O2 — CID 777226

IUPAC1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1nc(-c2cccnc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-4-3-5-13-6-7/h3-6H,1-2H3
InChIKeyMRMHYQXWTYCMFU-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.56
Rot. Bonds1

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

1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 777226) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID777226
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1nc(-c2cccnc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-4-3-5-13-6-7/h3-6H,1-2H3
InChIKeyMRMHYQXWTYCMFU-UHFFFAOYSA-N
XLogP-0.56
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,6-dimethyl-3-(pyridin-4-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 777227
1,6-Dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 906542
1-Ethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 651452
1,3-dimethyl-5-(pyridin-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3679605
1-ethyl-6-methyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 1765484
2-Imino-10-methyl-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 1039968
10-Methyl-2,5-dioxo-1-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidin-3-YL cyanide
CID 666762
2,5-Bis(oxidanylidene)-1-(pyridin-3-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
CID 666979
2-Imino-1-isopropyl-5-oxo-N-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1080193
1-Prop-2-enyl-5-[1-(3-pyridinylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
CID 1397692
1,3-Dimethyl-5-{[(5-methyl(2-pyridyl))amino]methylene}-1,3-dihydropyrimidine-2,4,6-trione
CID 2369564
2-Imino-8-methyl-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid butylamide
CID 3468808

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 777226) is 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1nc(-c2cccnc2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is MRMHYQXWTYCMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-4-3-5-13-6-7/h3-6H,1-2H3.
What are the key properties of 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 270.25 g/mol, XLogP of -0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-pyridin-3-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 777226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).