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

C8H12N6O2 — CID 606609

IUPAC2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCONc1nc(OCC#N)nc(N(C)C)n1
InChIInChI=1S/C8H12N6O2/c1-14(2)7-10-6(13-15-3)11-8(12-7)16-5-4-9/h5H2,1-3H3,(H,10,11,12,13)
InChIKeyIQURGCMGAPKDST-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.19
Rot. Bonds5

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

2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 606609) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID606609
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCONc1nc(OCC#N)nc(N(C)C)n1
InChIInChI=1S/C8H12N6O2/c1-14(2)7-10-6(13-15-3)11-8(12-7)16-5-4-9/h5H2,1-3H3,(H,10,11,12,13)
InChIKeyIQURGCMGAPKDST-UHFFFAOYSA-N
XLogP-0.19
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 606609) is 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile is CONc1nc(OCC#N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is IQURGCMGAPKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-14(2)7-10-6(13-15-3)11-8(12-7)16-5-4-9/h5H2,1-3H3,(H,10,11,12,13).
What are the key properties of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 224.22 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 606609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).