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

C13H12N6O2 — CID 906699

IUPAC1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C13H12N6O2/c1-3-19-11-9(12(20)18(2)13(21)16-11)15-10(17-19)8-6-4-5-7-14-8/h4-7H,3H2,1-2H3
InChIKeyQVCYRUGIQZXLCC-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.08
Rot. Bonds2

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

1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 906699) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID906699
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C13H12N6O2/c1-3-19-11-9(12(20)18(2)13(21)16-11)15-10(17-19)8-6-4-5-7-14-8/h4-7H,3H2,1-2H3
InChIKeyQVCYRUGIQZXLCC-UHFFFAOYSA-N
XLogP-0.08
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

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Related Compounds

6-Methyl-3-[(2e)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4h-1,2,4-triazin-5-one
CID 135412050
4-Methyl-2-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-2H-[1,2,4]triazine-3,5-dione
CID 89638711
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
6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872
1-ethyl-6-methyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 1765484
1-ethyl-6-methyl-3-(1H-pyrrol-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 4673464
N-(4-oxo-2-pyridin-2-yl-1H-pyrimidin-6-yl)acetamide
CID 135419016
1-butyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
CID 135966001
1-ethyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
CID 136123408
3-Methyl-10-(4-pyridinyl)benzo[g]pteridine-2,4(3H,10H)-dione
CID 15192344
3-Methyl-10-pyridin-3-yl-10H-benzo[g]pteridine-2,4-dione
CID 15192393

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 906699) is 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CCn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is QVCYRUGIQZXLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-3-19-11-9(12(20)18(2)13(21)16-11)15-10(17-19)8-6-4-5-7-14-8/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 284.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 906699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).