5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine

C20H21N5O — CID 112951171

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C20H21N5O/c1-26-18-8-6-15(7-9-18)12-21-20-23-19(13-22-24-20)25-11-10-16-4-2-3-5-17(16)14-25/h2-9,13H,10-12,14H2,1H3,(H,21,23,24)
InChIKeyOBXAEDFZBZJNHL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds5

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 112951171) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID112951171
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C20H21N5O/c1-26-18-8-6-15(7-9-18)12-21-20-23-19(13-22-24-20)25-11-10-16-4-2-3-5-17(16)14-25/h2-9,13H,10-12,14H2,1H3,(H,21,23,24)
InChIKeyOBXAEDFZBZJNHL-UHFFFAOYSA-N
XLogP3.06
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-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

N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948751
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872901
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205
N-[(4-methoxyphenyl)methyl]-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112951191
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112949741
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953167
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 112953176
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953220
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 100781251
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (CID 112951171) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is COc1ccc(CNc2nncc(N3CCc4ccccc4C3)n2)cc1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is OBXAEDFZBZJNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-26-18-8-6-15(7-9-18)12-21-20-23-19(13-22-24-20)25-11-10-16-4-2-3-5-17(16)14-25/h2-9,13H,10-12,14H2,1H3,(H,21,23,24).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 347.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112951171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).