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

C15H26N8O — CID 3094812

IUPAC2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C15H26N8O/c1-8-22(9-2)12(24)11(3)23(10-16)15-18-13(20(4)5)17-14(19-15)21(6)7/h11H,8-9H2,1-7H3
InChIKeyBCZAAPPVGCCJAM-UHFFFAOYSA-N
MW334.43 g/mol
LogP0.55
Rot. Bonds7

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

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide (PubChem CID 3094812) has the molecular formula C15H26N8O and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
PubChem CID3094812
Molecular FormulaC15H26N8O
Molecular Weight334.43 g/mol
Exact Mass334.22
IUPAC Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C15H26N8O/c1-8-22(9-2)12(24)11(3)23(10-16)15-18-13(20(4)5)17-14(19-15)21(6)7/h11H,8-9H2,1-7H3
InChIKeyBCZAAPPVGCCJAM-UHFFFAOYSA-N
XLogP0.55
TPSA92.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 50.55
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-diethylpropanamide?
The IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide (CID 3094812) is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(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-diethylpropanamide?
The InChIKey is BCZAAPPVGCCJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N8O/c1-8-22(9-2)12(24)11(3)23(10-16)15-18-13(20(4)5)17-14(19-15)21(6)7/h11H,8-9H2,1-7H3.
What are the key properties of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide?
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide has a molecular weight of 334.43 g/mol, XLogP of 0.55, 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-diethylpropanamide is sourced from PubChem (CID 3094812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).