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

C10H17N7 — CID 773462

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H17N7/c1-6-17(7-11)10-13-8(15(2)3)12-9(14-10)16(4)5/h6H2,1-5H3
InChIKeyLSAYWPZWLZUUMK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.31
Rot. Bonds4

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide (PubChem CID 773462) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
PubChem CID773462
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H17N7/c1-6-17(7-11)10-13-8(15(2)3)12-9(14-10)16(4)5/h6H2,1-5H3
InChIKeyLSAYWPZWLZUUMK-UHFFFAOYSA-N
XLogP0.31
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.31
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 [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide 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 [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide (CID 773462) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide is CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The InChIKey is LSAYWPZWLZUUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-6-17(7-11)10-13-8(15(2)3)12-9(14-10)16(4)5/h6H2,1-5H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide has a molecular weight of 235.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide is sourced from PubChem (CID 773462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).