7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one

C12H11N5O — CID 975606

IUPAC7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
SMILESCc1nn2c(nc1=O)NN=C(c1ccccc1)C2
InChIInChI=1S/C12H11N5O/c1-8-11(18)13-12-15-14-10(7-17(12)16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15,18)
InChIKeyGYUNWOGKBGWXNL-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.78
Rot. Bonds1

About 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one

7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one (PubChem CID 975606) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one.

Molecular Properties

Compound Name7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
PubChem CID975606
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
SMILESCc1nn2c(nc1=O)NN=C(c1ccccc1)C2
InChIInChI=1S/C12H11N5O/c1-8-11(18)13-12-15-14-10(7-17(12)16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15,18)
InChIKeyGYUNWOGKBGWXNL-UHFFFAOYSA-N
XLogP0.78
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one with MolForge

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Related Compounds

2-Methyl-3-phenylacrylaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135446632
Cambridge id 5764740
CID 3814426
6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1,2,4-triazin-5(4H)-one
CID 135412005
3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-1,2,4-triazin-5(4H)-one
CID 135454371
N-(3-oxo-6-phenyl-2,3-dihydro-1,2,4-triazin-5-yl)acetohydrazide
CID 129745646
3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135620282
3-[(2E)-2-[1-(3-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135620393
3-[(2Z)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784952
3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784969
3-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135847845
3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135982655
6-methyl-3-((E)-2-((E)-3-phenylallylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135446663

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
The IUPAC name of 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one (CID 975606) is 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one.
What is the SMILES notation for 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
The canonical SMILES for 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one is Cc1nn2c(nc1=O)NN=C(c1ccccc1)C2.
What is the InChIKey of 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
The InChIKey is GYUNWOGKBGWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-11(18)13-12-15-14-10(7-17(12)16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15,18).
What are the key properties of 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one has a molecular weight of 241.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one is sourced from PubChem (CID 975606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).