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

C9H14N6O2 — CID 614000

IUPAC2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCOCNc1nc(OCC#N)nc(N(C)C)n1
InChIInChI=1S/C9H14N6O2/c1-15(2)8-12-7(11-6-16-3)13-9(14-8)17-5-4-10/h5-6H2,1-3H3,(H,11,12,13,14)
InChIKeyVCQAXGTUPARJDK-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.14
Rot. Bonds6

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

2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 614000) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID614000
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCOCNc1nc(OCC#N)nc(N(C)C)n1
InChIInChI=1S/C9H14N6O2/c1-15(2)8-12-7(11-6-16-3)13-9(14-8)17-5-4-10/h5-6H2,1-3H3,(H,11,12,13,14)
InChIKeyVCQAXGTUPARJDK-UHFFFAOYSA-N
XLogP-0.14
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Related Compounds

2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
(4-Ethylamino-6-methoxyamino-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 1915426
s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
({4-(Dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 1903638
{[4-(Dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 4208960
{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1878758
2-Amino-4-butoxy-6-methylamino-s-triazine
CID 459155
N-Methoxy-N',N'-dimethyl-6-cyanomethyloxy-1,3,5-triazine-2,4-diamine
CID 606609
{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1910973
N-[4-(Cyanomethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylcyanamide
CID 12641787
4,6-diethoxy-N-methyl-1,3,5-triazin-2-amine
CID 21694348
N~2~-(Butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 21871889

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 614000) is 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile is COCNc1nc(OCC#N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is VCQAXGTUPARJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-15(2)8-12-7(11-6-16-3)13-9(14-8)17-5-4-10/h5-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 238.25 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 614000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).