6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C11H8N6O2 — CID 6401283

IUPAC6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)[nH]c2nnc(-c3ccccn3)nc2c1=O
InChIInChI=1S/C11H8N6O2/c1-17-10(18)7-9(14-11(17)19)16-15-8(13-7)6-4-2-3-5-12-6/h2-5H,1H3,(H,14,16,19)
InChIKeyKBRNFEOSBIPBFJ-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.53
Rot. Bonds1

About 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 6401283) has the molecular formula C11H8N6O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID6401283
Molecular FormulaC11H8N6O2
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC Name6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)[nH]c2nnc(-c3ccccn3)nc2c1=O
InChIInChI=1S/C11H8N6O2/c1-17-10(18)7-9(14-11(17)19)16-15-8(13-7)6-4-2-3-5-12-6/h2-5H,1H3,(H,14,16,19)
InChIKeyKBRNFEOSBIPBFJ-UHFFFAOYSA-N
XLogP-0.53
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 6401283) is 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)[nH]c2nnc(-c3ccccn3)nc2c1=O.
What is the InChIKey of 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is KBRNFEOSBIPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2/c1-17-10(18)7-9(14-11(17)19)16-15-8(13-7)6-4-2-3-5-12-6/h2-5H,1H3,(H,14,16,19).
What are the key properties of 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 256.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 6401283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).