4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine

C13H13ClN4O — CID 6405046

IUPAC4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
SMILESClc1ccc(-c2nncnc2N2CCOCC2)cc1
InChIInChI=1S/C13H13ClN4O/c14-11-3-1-10(2-4-11)12-13(15-9-16-17-12)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyLZNGCZBLHRGAPT-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.03
Rot. Bonds2

About 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine

4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine (PubChem CID 6405046) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
PubChem CID6405046
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
SMILESClc1ccc(-c2nncnc2N2CCOCC2)cc1
InChIInChI=1S/C13H13ClN4O/c14-11-3-1-10(2-4-11)12-13(15-9-16-17-12)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyLZNGCZBLHRGAPT-UHFFFAOYSA-N
XLogP2.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 6401390
3-(4-chlorophenyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 20873415
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
CID 163314828
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
CID 71407698
4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 166626749
4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine
CID 156654077
4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
CID 139225833
4-[2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-4-yl]morpholine
CID 139219737
4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
CID 4591823
3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide
CID 21088642

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine?
The IUPAC name of 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine (CID 6405046) is 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine.
What is the SMILES notation for 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine?
The canonical SMILES for 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine is Clc1ccc(-c2nncnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine?
The InChIKey is LZNGCZBLHRGAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-3-1-10(2-4-11)12-13(15-9-16-17-12)18-5-7-19-8-6-18/h1-4,9H,5-8H2.
What are the key properties of 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine?
4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine has a molecular weight of 276.73 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine is sourced from PubChem (CID 6405046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).