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

C18H23N5 — CID 112942590

IUPAC2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CCN(c2cnnc(N3CCc4ccccc4C3)n2)CC1
InChIInChI=1S/C18H23N5/c1-14-6-9-22(10-7-14)17-12-19-21-18(20-17)23-11-8-15-4-2-3-5-16(15)13-23/h2-5,12,14H,6-11,13H2,1H3
InChIKeyFCXZELBRIWQCSU-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.67
Rot. Bonds2

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

2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112942590) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID112942590
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CCN(c2cnnc(N3CCc4ccccc4C3)n2)CC1
InChIInChI=1S/C18H23N5/c1-14-6-9-22(10-7-14)17-12-19-21-18(20-17)23-11-8-15-4-2-3-5-16(15)13-23/h2-5,12,14H,6-11,13H2,1H3
InChIKeyFCXZELBRIWQCSU-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112953240
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 112910704
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
4-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]morpholine
CID 30298653
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953258
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)-1,2,4-triazin-5-amine
CID 112953271
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323127
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84570572
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112953282
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 112909262

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline (CID 112942590) is 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline is CC1CCN(c2cnnc(N3CCc4ccccc4C3)n2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is FCXZELBRIWQCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-6-9-22(10-7-14)17-12-19-21-18(20-17)23-11-8-15-4-2-3-5-16(15)13-23/h2-5,12,14H,6-11,13H2,1H3.
What are the key properties of 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline?
2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 309.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112942590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).