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

C12H11N5O — CID 3814426

IUPAC7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
SMILESCc1nn2c(nc1=O)NNC(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/h2-7,14H,1H3,(H,13,15,18)
InChIKeyMGQADBLFPCDJHV-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.83
Rot. Bonds1

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

7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one (PubChem CID 3814426) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one.

Molecular Properties

Compound Name7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
PubChem CID3814426
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
SMILESCc1nn2c(nc1=O)NNC(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/h2-7,14H,1H3,(H,13,15,18)
InChIKeyMGQADBLFPCDJHV-UHFFFAOYSA-N
XLogP0.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
The IUPAC name of 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one (CID 3814426) is 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one.
What is the SMILES notation for 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
The canonical SMILES for 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one is Cc1nn2c(nc1=O)NNC(c1ccccc1)=C2.
What is the InChIKey of 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
The InChIKey is MGQADBLFPCDJHV-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/h2-7,14H,1H3,(H,13,15,18).
What are the key properties of 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one?
7-methyl-3-phenyl-1,2-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 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1,2-dihydro-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one is sourced from PubChem (CID 3814426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).