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

C19H18ClN5 — CID 112953161

IUPACN-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H18ClN5/c1-13-6-7-16(20)10-17(13)22-19-23-18(11-21-24-19)25-9-8-14-4-2-3-5-15(14)12-25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23,24)
InChIKeyCLGOUUXTXQYIST-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.14
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (PubChem CID 112953161) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
PubChem CID112953161
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H18ClN5/c1-13-6-7-16(20)10-17(13)22-19-23-18(11-21-24-19)25-9-8-14-4-2-3-5-15(14)12-25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23,24)
InChIKeyCLGOUUXTXQYIST-UHFFFAOYSA-N
XLogP4.14
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2,4-dichlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953214
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-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957603
N-(5-chloro-2-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958061
N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 112953176
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112920337
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22547247
3-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112953224
5-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-methylphenyl)-1,2,4-triazin-3-amine
CID 112955348
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine (CID 112953161) is N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is Cc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is CLGOUUXTXQYIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-13-6-7-16(20)10-17(13)22-19-23-18(11-21-24-19)25-9-8-14-4-2-3-5-15(14)12-25/h2-7,10-11H,8-9,12H2,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine?
N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 351.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).