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

C9H10ClN5O2 — CID 3071536

IUPAC2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H10ClN5O2/c10-7-12-8(15-2-5-16-6-3-15)14-9(13-7)17-4-1-11/h2-6H2
InChIKeyHSWGVCPCFORPGI-UHFFFAOYSA-N
MW255.66 g/mol
LogP0.26
Rot. Bonds3

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

2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 3071536) has the molecular formula C9H10ClN5O2 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID3071536
Molecular FormulaC9H10ClN5O2
Molecular Weight255.66 g/mol
Exact Mass255.05
IUPAC Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H10ClN5O2/c10-7-12-8(15-2-5-16-6-3-15)14-9(13-7)17-4-1-11/h2-6H2
InChIKeyHSWGVCPCFORPGI-UHFFFAOYSA-N
XLogP0.26
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
(4,6-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
4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 13950063
2-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
CID 224967

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 3071536) is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is N#CCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is HSWGVCPCFORPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c10-7-12-8(15-2-5-16-6-3-15)14-9(13-7)17-4-1-11/h2-6H2.
What are the key properties of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 255.66 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 3071536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).