6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one

C18H16N4O — CID 135522036

IUPAC6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
SMILESCc1[nH]c2ccccc2c1C1NN=C(c2ccccc2)NC1=O
InChIInChI=1S/C18H16N4O/c1-11-15(13-9-5-6-10-14(13)19-11)16-18(23)20-17(22-21-16)12-7-3-2-4-8-12/h2-10,16,19,21H,1H3,(H,20,22,23)
InChIKeyYSCVOXZVMJCIRJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.60
Rot. Bonds2

About 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one

6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one (PubChem CID 135522036) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
PubChem CID135522036
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
SMILESCc1[nH]c2ccccc2c1C1NN=C(c2ccccc2)NC1=O
InChIInChI=1S/C18H16N4O/c1-11-15(13-9-5-6-10-14(13)19-11)16-18(23)20-17(22-21-16)12-7-3-2-4-8-12/h2-10,16,19,21H,1H3,(H,20,22,23)
InChIKeyYSCVOXZVMJCIRJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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3-(aziridin-2-yl)-2-methyl-1H-indole
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3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 17272196
N-[(2R)-4-methyl-1-[(6S)-6-(2-methyl-1H-indol-3-yl)-5-oxo-3-phenyl-4,6-dihydro-1,2,4-triazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 136802682
3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
CID 82294419
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
CID 82300706
5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
CID 139630245
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one?
The IUPAC name of 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one (CID 135522036) is 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one is Cc1[nH]c2ccccc2c1C1NN=C(c2ccccc2)NC1=O.
What is the InChIKey of 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one?
The InChIKey is YSCVOXZVMJCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-15(13-9-5-6-10-14(13)19-11)16-18(23)20-17(22-21-16)12-7-3-2-4-8-12/h2-10,16,19,21H,1H3,(H,20,22,23).
What are the key properties of 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one?
6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one has a molecular weight of 304.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one is sourced from PubChem (CID 135522036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).