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

C12H10N6O2 — CID 906542

IUPAC1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1nc(-c2ccccn2)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)7-5-3-4-6-13-7/h3-6H,1-2H3
InChIKeyHDXJYJIPXWVRSM-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.56
Rot. Bonds1

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

1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 906542) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID906542
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1nc(-c2ccccn2)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)7-5-3-4-6-13-7/h3-6H,1-2H3
InChIKeyHDXJYJIPXWVRSM-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

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

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Launch Full Analysis

Related Compounds

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
6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872
6-methyl-2-[2-(2-pyridinyl)ethyl]-4,5-dihydro-3(2H)-pyridazinone
CID 1241104
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
1,6-dimethyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 777226

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 906542) is 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is HDXJYJIPXWVRSM-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)7-5-3-4-6-13-7/h3-6H,1-2H3.
What are the key properties of 1,6-dimethyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1,6-dimethyl-3-pyridin-2-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-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 906542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).