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

C19H19N5 — CID 112953271

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccccc1Nc1cnnc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H19N5/c1-14-6-2-5-9-17(14)21-18-12-20-23-19(22-18)24-11-10-15-7-3-4-8-16(15)13-24/h2-9,12H,10-11,13H2,1H3,(H,21,22,23)
InChIKeyPQQHAUUWEMRAIC-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.49
Rot. Bonds3

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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine (PubChem CID 112953271) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine
PubChem CID112953271
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccccc1Nc1cnnc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H19N5/c1-14-6-2-5-9-17(14)21-18-12-20-23-19(22-18)24-11-10-15-7-3-4-8-16(15)13-24/h2-9,12H,10-11,13H2,1H3,(H,21,22,23)
InChIKeyPQQHAUUWEMRAIC-UHFFFAOYSA-N
XLogP3.49
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-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-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112953282
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
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
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
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952473
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
N-(2,3-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958126
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112942590
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine (CID 112953271) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine is Cc1ccccc1Nc1cnnc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is PQQHAUUWEMRAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14-6-2-5-9-17(14)21-18-12-20-23-19(22-18)24-11-10-15-7-3-4-8-16(15)13-24/h2-9,12H,10-11,13H2,1H3,(H,21,22,23).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 317.40 g/mol, XLogP of 3.49, 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-methylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112953271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).