1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one

C13H16N6O — CID 576284

IUPAC1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one
SMILESCc1nnc2n(c1=O)NC(C)(c1ccccc1)NN2C
InChIInChI=1S/C13H16N6O/c1-9-11(20)19-12(15-14-9)18(3)16-13(2,17-19)10-7-5-4-6-8-10/h4-8,16-17H,1-3H3
InChIKeyGUGRTDADQLWRMC-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.32
Rot. Bonds1

About 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one

1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one (PubChem CID 576284) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one.

Molecular Properties

Compound Name1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one
PubChem CID576284
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one
SMILESCc1nnc2n(c1=O)NC(C)(c1ccccc1)NN2C
InChIInChI=1S/C13H16N6O/c1-9-11(20)19-12(15-14-9)18(3)16-13(2,17-19)10-7-5-4-6-8-10/h4-8,16-17H,1-3H3
InChIKeyGUGRTDADQLWRMC-UHFFFAOYSA-N
XLogP0.32
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one 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 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one?
The IUPAC name of 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one (CID 576284) is 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one.
What is the SMILES notation for 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one?
The canonical SMILES for 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one is Cc1nnc2n(c1=O)NC(C)(c1ccccc1)NN2C.
What is the InChIKey of 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one?
The InChIKey is GUGRTDADQLWRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-11(20)19-12(15-14-9)18(3)16-13(2,17-19)10-7-5-4-6-8-10/h4-8,16-17H,1-3H3.
What are the key properties of 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one?
1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one has a molecular weight of 272.31 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-3-phenyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one is sourced from PubChem (CID 576284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).