1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one

C14H16N4O — CID 18740857

IUPAC1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one
SMILESCC1=NN=C2CN(C)C(=O)c3ccccc3N2C1C
InChIInChI=1S/C14H16N4O/c1-9-10(2)18-12-7-5-4-6-11(12)14(19)17(3)8-13(18)16-15-9/h4-7,10H,8H2,1-3H3
InChIKeyQMWSENIQAGRVON-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.76
Rot. Bonds

About 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one

1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one (PubChem CID 18740857) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one.

Molecular Properties

Compound Name1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one
PubChem CID18740857
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one
SMILESCC1=NN=C2CN(C)C(=O)c3ccccc3N2C1C
InChIInChI=1S/C14H16N4O/c1-9-10(2)18-12-7-5-4-6-11(12)14(19)17(3)8-13(18)16-15-9/h4-7,10H,8H2,1-3H3
InChIKeyQMWSENIQAGRVON-UHFFFAOYSA-N
XLogP1.76
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one?
The IUPAC name of 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one (CID 18740857) is 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one.
What is the SMILES notation for 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one?
The canonical SMILES for 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one is CC1=NN=C2CN(C)C(=O)c3ccccc3N2C1C.
What is the InChIKey of 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one?
The InChIKey is QMWSENIQAGRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-10(2)18-12-7-5-4-6-11(12)14(19)17(3)8-13(18)16-15-9/h4-7,10H,8H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one?
1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one has a molecular weight of 256.31 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-7-one is sourced from PubChem (CID 18740857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).