4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile

C18H20N6O3 — CID 1086559

IUPAC4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H20N6O3/c19-13-14-1-3-15(4-2-14)27-18-21-16(23-5-9-25-10-6-23)20-17(22-18)24-7-11-26-12-8-24/h1-4H,5-12H2
InChIKeyNTOJLYIHNVNJRY-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.21
Rot. Bonds4

About 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile

4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile (PubChem CID 1086559) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
PubChem CID1086559
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H20N6O3/c19-13-14-1-3-15(4-2-14)27-18-21-16(23-5-9-25-10-6-23)20-17(22-18)24-7-11-26-12-8-24/h1-4H,5-12H2
InChIKeyNTOJLYIHNVNJRY-UHFFFAOYSA-N
XLogP1.21
TPSA96.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
CID 742235
2-(4-Cyclohexylphenoxy)-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 3236599
2-(4-Morpholinyl)-4,6-diphenoxy-1,3,5-triazine
CID 1240525
2,4-Di-4-morpholinyl-6-phenoxy-1,3,5-triazine
CID 970218
2,4-Di-4-morpholinyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine
CID 1263110
2-(2-Fluorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1504755
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 5340724
4-Benzyl-4-(4,6-diphenoxy-1,3,5-triazin-2-yl)morpholin-4-ium
CID 101570844
4-(4-Chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yloxy)benzonitrile
CID 129886350
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5723159
4-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
CID 50871874
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 117085360

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile?
The IUPAC name of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile (CID 1086559) is 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile.
What is the SMILES notation for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile?
The canonical SMILES for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile is N#Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile?
The InChIKey is NTOJLYIHNVNJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c19-13-14-1-3-15(4-2-14)27-18-21-16(23-5-9-25-10-6-23)20-17(22-18)24-7-11-26-12-8-24/h1-4H,5-12H2.
What are the key properties of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile?
4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile has a molecular weight of 368.40 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzonitrile is sourced from PubChem (CID 1086559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).