N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine

C20H27N5O2 — CID 112942438

IUPACN-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1cc2c(cc1OC)CN(c1cnnc(NC3CCCCC3)n1)CC2
InChIInChI=1S/C20H27N5O2/c1-26-17-10-14-8-9-25(13-15(14)11-18(17)27-2)19-12-21-24-20(23-19)22-16-6-4-3-5-7-16/h10-12,16H,3-9,13H2,1-2H3,(H,22,23,24)
InChIKeyWEMJHKNREIFKEJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.20
Rot. Bonds5

About N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine

N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (PubChem CID 112942438) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
PubChem CID112942438
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1cc2c(cc1OC)CN(c1cnnc(NC3CCCCC3)n1)CC2
InChIInChI=1S/C20H27N5O2/c1-26-17-10-14-8-9-25(13-15(14)11-18(17)27-2)19-12-21-24-20(23-19)22-16-6-4-3-5-7-16/h10-12,16H,3-9,13H2,1-2H3,(H,22,23,24)
InChIKeyWEMJHKNREIFKEJ-UHFFFAOYSA-N
XLogP3.20
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948751
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
N-cyclopropyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112939160
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 112958841
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112949741
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109342032
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112942382
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
[2-(cyclohexylamino)pyrimidin-5-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109250522
1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112942384
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (CID 112942438) is N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is COc1cc2c(cc1OC)CN(c1cnnc(NC3CCCCC3)n1)CC2.
What is the InChIKey of N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is WEMJHKNREIFKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-26-17-10-14-8-9-25(13-15(14)11-18(17)27-2)19-12-21-24-20(23-19)22-16-6-4-3-5-7-16/h10-12,16H,3-9,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 369.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).