3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine

C20H21N5 — CID 112953282

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cccc(Nc2cnnc(N3CCc4ccccc4C3)n2)c1C
InChIInChI=1S/C20H21N5/c1-14-6-5-9-18(15(14)2)22-19-12-21-24-20(23-19)25-11-10-16-7-3-4-8-17(16)13-25/h3-9,12H,10-11,13H2,1-2H3,(H,22,23,24)
InChIKeyQKQOYAZEKLIDTF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.79
Rot. Bonds3

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine (PubChem CID 112953282) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine
PubChem CID112953282
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cccc(Nc2cnnc(N3CCc4ccccc4C3)n2)c1C
InChIInChI=1S/C20H21N5/c1-14-6-5-9-18(15(14)2)22-19-12-21-24-20(23-19)25-11-10-16-7-3-4-8-17(16)13-25/h3-9,12H,10-11,13H2,1-2H3,(H,22,23,24)
InChIKeyQKQOYAZEKLIDTF-UHFFFAOYSA-N
XLogP3.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine
CID 112953271
N-(2,3-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958126
N-(4-bromo-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953343
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953258
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112957485
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952473
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112958864
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 18921802
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
5-N-(2,3-dimethylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963863
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine (CID 112953282) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine is Cc1cccc(Nc2cnnc(N3CCc4ccccc4C3)n2)c1C.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is QKQOYAZEKLIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-6-5-9-18(15(14)2)22-19-12-21-24-20(23-19)25-11-10-16-7-3-4-8-17(16)13-25/h3-9,12H,10-11,13H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 331.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112953282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).