2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

C11H12N6O3 — CID 3071542

IUPAC2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESN#CCOc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H12N6O3/c12-1-5-19-10-14-9(17-3-7-18-8-4-17)15-11(16-10)20-6-2-13/h3-8H2
InChIKeyAQHWOQASONZRIB-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.49
Rot. Bonds5

About 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 3071542) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID3071542
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESN#CCOc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H12N6O3/c12-1-5-19-10-14-9(17-3-7-18-8-4-17)15-11(16-10)20-6-2-13/h3-8H2
InChIKeyAQHWOQASONZRIB-UHFFFAOYSA-N
XLogP-0.49
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile with MolForge

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Related Compounds

Acetonitrile, ((4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy)-
CID 644599
2,4-Dichloro-6-morpholino-1,3,5-triazine
CID 81076
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
N-[4-[hydroxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 44186462
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
6-(4-Morpholinyl)-1,3,5-triazine-2,4-diamine
CID 96906
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
2-Chloro-4-methoxy-6-(morpholin-4-yl)-1,3,5-triazine
CID 686256
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-methylcyanamide
CID 714956
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
6-Ethoxy-4-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 729542

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 3071542) is 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is N#CCOc1nc(OCC#N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is AQHWOQASONZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-1-5-19-10-14-9(17-3-7-18-8-4-17)15-11(16-10)20-6-2-13/h3-8H2.
What are the key properties of 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 276.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 3071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).