4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole

C16H17Cl2N5O — CID 176925080

IUPAC4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole
SMILESClc1nnc(Cl)c(N2CCC(Oc3cccc4c3CNC4)CC2)n1
InChIInChI=1S/C16H17Cl2N5O/c17-14-15(20-16(18)22-21-14)23-6-4-11(5-7-23)24-13-3-1-2-10-8-19-9-12(10)13/h1-3,11,19H,4-9H2
InChIKeyWOCVRELQBGDXBV-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.83
Rot. Bonds3

About 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole

4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole (PubChem CID 176925080) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole
PubChem CID176925080
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole
SMILESClc1nnc(Cl)c(N2CCC(Oc3cccc4c3CNC4)CC2)n1
InChIInChI=1S/C16H17Cl2N5O/c17-14-15(20-16(18)22-21-14)23-6-4-11(5-7-23)24-13-3-1-2-10-8-19-9-12(10)13/h1-3,11,19H,4-9H2
InChIKeyWOCVRELQBGDXBV-UHFFFAOYSA-N
XLogP2.83
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole with MolForge

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Related Compounds

4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine
CID 103500970
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076688
tert-butyl 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-5-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176924473
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
3-methoxy-2-[4-(2-methoxyphenoxy)piperidin-1-yl]-6-methylpyridine
CID 146038169
5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076287
5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 133390966
2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
CID 87415967

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole (CID 176925080) is 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole is Clc1nnc(Cl)c(N2CCC(Oc3cccc4c3CNC4)CC2)n1.
What is the InChIKey of 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole?
The InChIKey is WOCVRELQBGDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c17-14-15(20-16(18)22-21-14)23-6-4-11(5-7-23)24-13-3-1-2-10-8-19-9-12(10)13/h1-3,11,19H,4-9H2.
What are the key properties of 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole?
4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole has a molecular weight of 366.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 176925080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).