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

C21H23N5O — CID 112953176

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)Oc1ccccc1Nc1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C21H23N5O/c1-15(2)27-19-10-6-5-9-18(19)23-21-24-20(13-22-25-21)26-12-11-16-7-3-4-8-17(16)14-26/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24,25)
InChIKeySGKMAAZZOHCADZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.97
Rot. Bonds5

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

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112953176) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112953176
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)Oc1ccccc1Nc1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C21H23N5O/c1-15(2)27-19-10-6-5-9-18(19)23-21-24-20(13-22-25-21)26-12-11-16-7-3-4-8-17(16)14-26/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24,25)
InChIKeySGKMAAZZOHCADZ-UHFFFAOYSA-N
XLogP3.97
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-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-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953167
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953220
N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953161
N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953214
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112920489
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951171
3-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112953224
N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112942724
4-[3-(2-ethoxyanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946592
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine (CID 112953176) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine is CC(C)Oc1ccccc1Nc1nncc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is SGKMAAZZOHCADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15(2)27-19-10-6-5-9-18(19)23-21-24-20(13-22-25-21)26-12-11-16-7-3-4-8-17(16)14-26/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 361.45 g/mol, XLogP of 3.97, 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-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).