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

C19H18ClN5O — CID 112953167

IUPACN-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H18ClN5O/c1-26-17-7-6-15(20)10-16(17)22-19-23-18(11-21-24-19)25-9-8-13-4-2-3-5-14(13)12-25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23,24)
InChIKeyMAPNUPYSRZONAX-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.84
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (PubChem CID 112953167) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
PubChem CID112953167
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H18ClN5O/c1-26-17-7-6-15(20)10-16(17)22-19-23-18(11-21-24-19)25-9-8-13-4-2-3-5-14(13)12-25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23,24)
InChIKeyMAPNUPYSRZONAX-UHFFFAOYSA-N
XLogP3.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953161
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953220
N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953214
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 112953176
N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxamide
CID 109284191
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951171
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
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112962799
3-N-(5-chloro-2-methoxyphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962390
3-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112953224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (CID 112953167) is N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is COc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is MAPNUPYSRZONAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-26-17-7-6-15(20)10-16(17)22-19-23-18(11-21-24-19)25-9-8-13-4-2-3-5-14(13)12-25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 367.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).