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

C7H6N6O2 — CID 3125395

IUPAC2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESN#CCOc1nc(N)nc(OCC#N)n1
InChIInChI=1S/C7H6N6O2/c8-1-3-14-6-11-5(10)12-7(13-6)15-4-2-9/h3-4H2,(H2,10,11,12,13)
InChIKeyWCDHGDUUEPIJOY-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.74
Rot. Bonds4

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

2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 3125395) has the molecular formula C7H6N6O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID3125395
Molecular FormulaC7H6N6O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESN#CCOc1nc(N)nc(OCC#N)n1
InChIInChI=1S/C7H6N6O2/c8-1-3-14-6-11-5(10)12-7(13-6)15-4-2-9/h3-4H2,(H2,10,11,12,13)
InChIKeyWCDHGDUUEPIJOY-UHFFFAOYSA-N
XLogP-0.74
TPSA130.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,6-Tricyanomethoxy-s-triazine
CID 120443
s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
Acetonitrile, ((4,6-diazido-1,3,5-triazin-2-yl)oxy)-
CID 3080210
Acetonitrile, ((4,6-dichloro-1,3,5-triazin-2-yl)oxy)-
CID 3071534
Acetonitrile, 2,2'-((6-chloro-1,3,5-triazine-2,4-diyl)bis(oxy))bis-
CID 3071535
Acetonitrile, 2,2'-((6-azido-1,3,5-triazine-2,4-diyl)bis(oxy))bis-
CID 3071541
s-Triazine, 2-amino-4-chloro-6-ethoxy-
CID 167705
4,6-Diethoxy-1,3,5-triazin-2-amine
CID 35395
4-Ethoxy-6-methoxy-1,3,5-triazin-2-amine
CID 12318225
Formyl cyanide;1,3,5-triazine-2,4,6-triamine
CID 175434728
3-[4-(2-Cyanoethoxy)-6-methoxy-1,3,5-triazin-2-yloxy]propanenitrile
CID 3858116

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 3125395) is 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile is N#CCOc1nc(N)nc(OCC#N)n1.
What is the InChIKey of 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is WCDHGDUUEPIJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O2/c8-1-3-14-6-11-5(10)12-7(13-6)15-4-2-9/h3-4H2,(H2,10,11,12,13).
What are the key properties of 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 206.16 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 3125395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).