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

C10H14ClN7O — CID 683845

IUPAC2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C#N)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H14ClN7O/c1-16(2)7(19)5-18(6-12)10-14-8(11)13-9(15-10)17(3)4/h5H2,1-4H3
InChIKeyLDMVNJYSLAZBKN-UHFFFAOYSA-N
MW283.72 g/mol
LogP-0.03
Rot. Bonds4

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

2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide (PubChem CID 683845) has the molecular formula C10H14ClN7O and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide
PubChem CID683845
Molecular FormulaC10H14ClN7O
Molecular Weight283.72 g/mol
Exact Mass283.09
IUPAC Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C#N)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H14ClN7O/c1-16(2)7(19)5-18(6-12)10-14-8(11)13-9(15-10)17(3)4/h5H2,1-4H3
InChIKeyLDMVNJYSLAZBKN-UHFFFAOYSA-N
XLogP-0.03
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide (CID 683845) is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C#N)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide?
The InChIKey is LDMVNJYSLAZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O/c1-16(2)7(19)5-18(6-12)10-14-8(11)13-9(15-10)17(3)4/h5H2,1-4H3.
What are the key properties of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide?
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide has a molecular weight of 283.72 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylacetamide is sourced from PubChem (CID 683845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).