N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine

C24H19N5 — CID 42243787

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCN(Cc1cccc2cnccc12)c1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C24H19N5/c1-29(16-19-9-4-8-18-14-25-13-12-20(18)19)24-27-23(15-26-28-24)22-11-5-7-17-6-2-3-10-21(17)22/h2-15H,16H2,1H3
InChIKeyZHPFHTVEETUJEA-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.88
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine

N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine (PubChem CID 42243787) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine
PubChem CID42243787
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCN(Cc1cccc2cnccc12)c1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C24H19N5/c1-29(16-19-9-4-8-18-14-25-13-12-20(18)19)24-27-23(15-26-28-24)22-11-5-7-17-6-2-3-10-21(17)22/h2-15H,16H2,1H3
InChIKeyZHPFHTVEETUJEA-UHFFFAOYSA-N
XLogP4.88
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
1-(6-chloro-3-pyridinyl)-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 56713738
N-(isoquinolin-5-ylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50976350
2-isoquinolin-5-ylaniline
CID 62812627
5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline
CID 56871516
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 50968092
2-isoquinolin-5-ylacetamide
CID 68785768
2-isoquinolin-5-ylbenzamide
CID 39817654
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
CID 82576951
N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine
CID 69205352

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine (CID 42243787) is N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine is CN(Cc1cccc2cnccc12)c1nncc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The InChIKey is ZHPFHTVEETUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-29(16-19-9-4-8-18-14-25-13-12-20(18)19)24-27-23(15-26-28-24)22-11-5-7-17-6-2-3-10-21(17)22/h2-15H,16H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine has a molecular weight of 377.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-5-naphthalen-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 42243787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).