[4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide

C10H15ClN6O — CID 609585

IUPAC[4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide
SMILESCCN(CC)c1nc(NC#N)nc(OCCCl)n1
InChIInChI=1S/C10H15ClN6O/c1-3-17(4-2)9-14-8(13-7-12)15-10(16-9)18-6-5-11/h3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyARGMUYLCYZQPEZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.23
Rot. Bonds7

About [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide

[4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide (PubChem CID 609585) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide.

Molecular Properties

Compound Name[4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide
PubChem CID609585
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name[4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide
SMILESCCN(CC)c1nc(NC#N)nc(OCCCl)n1
InChIInChI=1S/C10H15ClN6O/c1-3-17(4-2)9-14-8(13-7-12)15-10(16-9)18-6-5-11/h3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyARGMUYLCYZQPEZ-UHFFFAOYSA-N
XLogP1.23
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

6-Chloroethylamino-4-dimethylamino-2-methoxy-sym-triazine
CID 14341532
4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl[(2-chloroethoxy)methyl]cyanamide
CID 3091045
6-(2-Chloroethyloxy)-N,N-diethyl-N'-methoxy-N'-methyl-1,3,5-triazine-2,4-diamine
CID 606715
4-(2-Chloroethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 607418
6-(2-Chloroethoxy)-N-cyano-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
CID 609921
N-(2-Chloro-1-ethoxyethyl)-N-cyano-N',N',N'',N''-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 610162
6-(2-Chloroethoxy)-2-(N,N-diethylamino)-4-(methoxyamino)-1,3,5-triazine
CID 611227
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
CID 613524
2-Chloroethoxymethyl-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]cyanamide
CID 3091043
6-Ethoxy-N2,N2-diethyl-1,3,5-triazine-2,4-diamine
CID 13262853
4-chloro-6-ethoxy-N,N-diethyl-1,3,5-triazin-2-amine
CID 62857212
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl][(2-chloroethoxy)methyl]cyanamide
CID 1885131

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide?
The IUPAC name of [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide (CID 609585) is [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide.
What is the SMILES notation for [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide?
The canonical SMILES for [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide is CCN(CC)c1nc(NC#N)nc(OCCCl)n1.
What is the InChIKey of [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide?
The InChIKey is ARGMUYLCYZQPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O/c1-3-17(4-2)9-14-8(13-7-12)15-10(16-9)18-6-5-11/h3-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide?
[4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide has a molecular weight of 270.72 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)-6-(diethylamino)-1,3,5-triazin-2-yl]cyanamide is sourced from PubChem (CID 609585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).