2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline

C22H24N6 — CID 112953240

IUPAC2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(N2CCN(c3cnnc(N4CCc5ccccc5C4)n3)CC2)cc1
InChIInChI=1S/C22H24N6/c1-2-8-20(9-3-1)26-12-14-27(15-13-26)21-16-23-25-22(24-21)28-11-10-18-6-4-5-7-19(18)17-28/h1-9,16H,10-15,17H2
InChIKeyMRPAQTJOOYYNLU-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.76
Rot. Bonds3

About 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline

2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112953240) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID112953240
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(N2CCN(c3cnnc(N4CCc5ccccc5C4)n3)CC2)cc1
InChIInChI=1S/C22H24N6/c1-2-8-20(9-3-1)26-12-14-27(15-13-26)21-16-23-25-22(24-21)28-11-10-18-6-4-5-7-19(18)17-28/h1-9,16H,10-15,17H2
InChIKeyMRPAQTJOOYYNLU-UHFFFAOYSA-N
XLogP2.76
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112942590
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947029
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953258
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine
CID 112953271
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline (CID 112953240) is 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline is c1ccc(N2CCN(c3cnnc(N4CCc5ccccc5C4)n3)CC2)cc1.
What is the InChIKey of 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MRPAQTJOOYYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-2-8-20(9-3-1)26-12-14-27(15-13-26)21-16-23-25-22(24-21)28-11-10-18-6-4-5-7-19(18)17-28/h1-9,16H,10-15,17H2.
What are the key properties of 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 372.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112953240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).