5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline

C19H19N3 — CID 23827554

IUPAC5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESCCC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21
InChIInChI=1S/C19H19N3/c1-3-19(2)13-15-11-7-8-12-16(15)18-21-20-17(22(18)19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3
InChIKeyNQMBUYWMZFVMFK-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.29
Rot. Bonds2

About 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline

5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline (PubChem CID 23827554) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
PubChem CID23827554
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESCCC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21
InChIInChI=1S/C19H19N3/c1-3-19(2)13-15-11-7-8-12-16(15)18-21-20-17(22(18)19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3
InChIKeyNQMBUYWMZFVMFK-UHFFFAOYSA-N
XLogP4.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The IUPAC name of 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline (CID 23827554) is 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
What is the SMILES notation for 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The canonical SMILES for 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is CCC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21.
What is the InChIKey of 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The InChIKey is NQMBUYWMZFVMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-3-19(2)13-15-11-7-8-12-16(15)18-21-20-17(22(18)19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline has a molecular weight of 289.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is sourced from PubChem (CID 23827554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).