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

C21H23N5O — CID 112954146

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
SMILESCOc1cccc(CCNc2cnnc(N3CCCc4ccccc43)n2)c1
InChIInChI=1S/C21H23N5O/c1-27-18-9-4-6-16(14-18)11-12-22-20-15-23-25-21(24-20)26-13-5-8-17-7-2-3-10-19(17)26/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,22,24,25)
InChIKeySIXNEKYCFSIMLE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.62
Rot. Bonds6

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

3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine (PubChem CID 112954146) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
PubChem CID112954146
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
SMILESCOc1cccc(CCNc2cnnc(N3CCCc4ccccc43)n2)c1
InChIInChI=1S/C21H23N5O/c1-27-18-9-4-6-16(14-18)11-12-22-20-15-23-25-21(24-20)26-13-5-8-17-7-2-3-10-19(17)26/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,22,24,25)
InChIKeySIXNEKYCFSIMLE-UHFFFAOYSA-N
XLogP3.62
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-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

6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966
3-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazin-5-amine
CID 112958669
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894334
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856
3-N-(4-tert-butylphenyl)-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954163
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)-1,2,4-triazin-5-amine
CID 112952831
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
3-N-[(2-chlorophenyl)methyl]-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112950336
5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939915

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine (CID 112954146) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine is COc1cccc(CCNc2cnnc(N3CCCc4ccccc43)n2)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine?
The InChIKey is SIXNEKYCFSIMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-27-18-9-4-6-16(14-18)11-12-22-20-15-23-25-21(24-20)26-13-5-8-17-7-2-3-10-19(17)26/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,22,24,25).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine has a molecular weight of 361.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112954146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).