7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione

C14H13N5O2 — CID 568484

IUPAC7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione
SMILESCC1=Nn2c(nnc(-c3ccccc3)c2=O)N(C)C(=O)C1
InChIInChI=1S/C14H13N5O2/c1-9-8-11(20)18(2)14-16-15-12(13(21)19(14)17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyRLMCNJURKRREOX-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.90
Rot. Bonds1

About 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione

7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione (PubChem CID 568484) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione.

Molecular Properties

Compound Name7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione
PubChem CID568484
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione
SMILESCC1=Nn2c(nnc(-c3ccccc3)c2=O)N(C)C(=O)C1
InChIInChI=1S/C14H13N5O2/c1-9-8-11(20)18(2)14-16-15-12(13(21)19(14)17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyRLMCNJURKRREOX-UHFFFAOYSA-N
XLogP0.90
TPSA80.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione with MolForge

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Related Compounds

2-[(4-Methylpiperazin-1-yl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 46702669
6-Phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydro-2 H-pyridazin-3-one
CID 1281627
6-Phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydro-2 H pyridazin-3-one
CID 46702672
2-(azepan-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
CID 60179363
2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
CID 141690403
2,4-Dimethyl-6-phenyl-3,5-dioxo-2,3,4,5-tetrahydro-triazine
CID 583355
3-Methoxy-4-methyl-6-phenyl-5-oxo-4,5-dihydro-triazine
CID 612374
3(2H)-Pyridazinone, 4,5-dihydro-2-methyl-6-phenyl-
CID 843809
6-Phenyl-2-(triazolin-1-ylmethyl)-4,5-dihydro-2 H-pyridazin-3-one
CID 162640072
2,4-Dimethyl-6-phenyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
CID 554108
2-Methyl-6-phenyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine
CID 583336
3-Phenyl-7-methyl-4,9-dioxo-1,4,8,9-hydro-as-triazino(4,3-b)-triazpine-1,2,4
CID 614801

Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione?
The IUPAC name of 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione (CID 568484) is 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione.
What is the SMILES notation for 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione?
The canonical SMILES for 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione is CC1=Nn2c(nnc(-c3ccccc3)c2=O)N(C)C(=O)C1.
What is the InChIKey of 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione?
The InChIKey is RLMCNJURKRREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-8-11(20)18(2)14-16-15-12(13(21)19(14)17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione?
7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione has a molecular weight of 283.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-3-phenyl-8H-[1,2,4]triazino[4,3-b][1,2,4]triazepine-4,9-dione is sourced from PubChem (CID 568484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).