[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide

C11H19N7 — CID 826227

IUPAC[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
SMILESCCNc1nc(NCC)nc(N(C#N)C(C)C)n1
InChIInChI=1S/C11H19N7/c1-5-13-9-15-10(14-6-2)17-11(16-9)18(7-12)8(3)4/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyQTGJUTUHXZTTFT-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.43
Rot. Bonds6

About [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide

[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide (PubChem CID 826227) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide.

Molecular Properties

Compound Name[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
PubChem CID826227
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
SMILESCCNc1nc(NCC)nc(N(C#N)C(C)C)n1
InChIInChI=1S/C11H19N7/c1-5-13-9-15-10(14-6-2)17-11(16-9)18(7-12)8(3)4/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyQTGJUTUHXZTTFT-UHFFFAOYSA-N
XLogP1.43
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
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(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide 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(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
The IUPAC name of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide (CID 826227) is [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide.
What is the SMILES notation for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
The canonical SMILES for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide is CCNc1nc(NCC)nc(N(C#N)C(C)C)n1.
What is the InChIKey of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
The InChIKey is QTGJUTUHXZTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-5-13-9-15-10(14-6-2)17-11(16-9)18(7-12)8(3)4/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide has a molecular weight of 249.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide is sourced from PubChem (CID 826227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).