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

C5H2Cl2N4O — CID 3071534

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H2Cl2N4O/c6-3-9-4(7)11-5(10-3)12-2-1-8/h2H2
InChIKeyMVBQCLXLDCCHDI-UHFFFAOYSA-N
MW205.00 g/mol
LogP1.08
Rot. Bonds2

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

2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 3071534) has the molecular formula C5H2Cl2N4O and a molecular weight of 205.00 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID3071534
Molecular FormulaC5H2Cl2N4O
Molecular Weight205.00 g/mol
Exact Mass203.96
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H2Cl2N4O/c6-3-9-4(7)11-5(10-3)12-2-1-8/h2H2
InChIKeyMVBQCLXLDCCHDI-UHFFFAOYSA-N
XLogP1.08
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.00
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 3071534) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile is N#CCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is MVBQCLXLDCCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4O/c6-3-9-4(7)11-5(10-3)12-2-1-8/h2H2.
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 205.00 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 3071534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).