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

C18H15Cl2N5 — CID 112953214

IUPACN-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESClc1ccc(Nc2nncc(N3CCc4ccccc4C3)n2)c(Cl)c1
InChIInChI=1S/C18H15Cl2N5/c19-14-5-6-16(15(20)9-14)22-18-23-17(10-21-24-18)25-8-7-12-3-1-2-4-13(12)11-25/h1-6,9-10H,7-8,11H2,(H,22,23,24)
InChIKeyMCEKADNAOMLRGC-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.48
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (PubChem CID 112953214) has the molecular formula C18H15Cl2N5 and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
PubChem CID112953214
Molecular FormulaC18H15Cl2N5
Molecular Weight372.26 g/mol
Exact Mass371.07
IUPAC NameN-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESClc1ccc(Nc2nncc(N3CCc4ccccc4C3)n2)c(Cl)c1
InChIInChI=1S/C18H15Cl2N5/c19-14-5-6-16(15(20)9-14)22-18-23-17(10-21-24-18)25-8-7-12-3-1-2-4-13(12)11-25/h1-6,9-10H,7-8,11H2,(H,22,23,24)
InChIKeyMCEKADNAOMLRGC-UHFFFAOYSA-N
XLogP4.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941948
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941973
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941974
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942138
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942163
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942164
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942700
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942725
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942726
3-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-N-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112943070
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945904
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945929

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (CID 112953214) is N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is Clc1ccc(Nc2nncc(N3CCc4ccccc4C3)n2)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is MCEKADNAOMLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5/c19-14-5-6-16(15(20)9-14)22-18-23-17(10-21-24-18)25-8-7-12-3-1-2-4-13(12)11-25/h1-6,9-10H,7-8,11H2,(H,22,23,24).
What are the key properties of N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 372.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).