2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide

C14H24N8O — CID 6737655

IUPAC2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C14H24N8O/c1-7-21(8-2)11(23)9-22(10-15)14-17-12(19(3)4)16-13(18-14)20(5)6/h7-9H2,1-6H3
InChIKeyQTMNTWXNTWLGQE-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.16
Rot. Bonds7

About 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide (PubChem CID 6737655) has the molecular formula C14H24N8O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide
PubChem CID6737655
Molecular FormulaC14H24N8O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C14H24N8O/c1-7-21(8-2)11(23)9-22(10-15)14-17-12(19(3)4)16-13(18-14)20(5)6/h7-9H2,1-6H3
InChIKeyQTMNTWXNTWLGQE-UHFFFAOYSA-N
XLogP0.16
TPSA92.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide (CID 6737655) is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide?
The InChIKey is QTMNTWXNTWLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8O/c1-7-21(8-2)11(23)9-22(10-15)14-17-12(19(3)4)16-13(18-14)20(5)6/h7-9H2,1-6H3.
What are the key properties of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide?
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide has a molecular weight of 320.40 g/mol, XLogP of 0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide is sourced from PubChem (CID 6737655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).