8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one

C19H17N3O — CID 20893858

IUPAC8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCc1cccc(Cn2ncn3c(cc4cc(C)ccc43)c2=O)c1
InChIInChI=1S/C19H17N3O/c1-13-4-3-5-15(8-13)11-22-19(23)18-10-16-9-14(2)6-7-17(16)21(18)12-20-22/h3-10,12H,11H2,1-2H3
InChIKeyFWJYBRDVEBLQPW-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.31
Rot. Bonds2

About 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one

8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one (PubChem CID 20893858) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one.

Molecular Properties

Compound Name8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one
PubChem CID20893858
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCc1cccc(Cn2ncn3c(cc4cc(C)ccc43)c2=O)c1
InChIInChI=1S/C19H17N3O/c1-13-4-3-5-15(8-13)11-22-19(23)18-10-16-9-14(2)6-7-17(16)21(18)12-20-22/h3-10,12H,11H2,1-2H3
InChIKeyFWJYBRDVEBLQPW-UHFFFAOYSA-N
XLogP3.31
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one?
The IUPAC name of 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one (CID 20893858) is 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one.
What is the SMILES notation for 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one?
The canonical SMILES for 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one is Cc1cccc(Cn2ncn3c(cc4cc(C)ccc43)c2=O)c1.
What is the InChIKey of 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one?
The InChIKey is FWJYBRDVEBLQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-4-3-5-15(8-13)11-22-19(23)18-10-16-9-14(2)6-7-17(16)21(18)12-20-22/h3-10,12H,11H2,1-2H3.
What are the key properties of 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one?
8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one has a molecular weight of 303.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one is sourced from PubChem (CID 20893858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).