4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine

C11H21ClN4 — CID 70634486

IUPAC4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine
SMILESCCCCC1=NC(Cl)N(N)C(CCCC)=N1
InChIInChI=1S/C11H21ClN4/c1-3-5-7-9-14-10(8-6-4-2)16(13)11(12)15-9/h11H,3-8,13H2,1-2H3
InChIKeyQEQRNOUYKSIWFK-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.88
Rot. Bonds6

About 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine

4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine (PubChem CID 70634486) has the molecular formula C11H21ClN4 and a molecular weight of 244.77 g/mol. Its IUPAC name is 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine.

Molecular Properties

Compound Name4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine
PubChem CID70634486
Molecular FormulaC11H21ClN4
Molecular Weight244.77 g/mol
Exact Mass244.15
IUPAC Name4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine
SMILESCCCCC1=NC(Cl)N(N)C(CCCC)=N1
InChIInChI=1S/C11H21ClN4/c1-3-5-7-9-14-10(8-6-4-2)16(13)11(12)15-9/h11H,3-8,13H2,1-2H3
InChIKeyQEQRNOUYKSIWFK-UHFFFAOYSA-N
XLogP2.88
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine 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-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine?
The IUPAC name of 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine (CID 70634486) is 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine.
What is the SMILES notation for 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine?
The canonical SMILES for 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine is CCCCC1=NC(Cl)N(N)C(CCCC)=N1.
What is the InChIKey of 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine?
The InChIKey is QEQRNOUYKSIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4/c1-3-5-7-9-14-10(8-6-4-2)16(13)11(12)15-9/h11H,3-8,13H2,1-2H3.
What are the key properties of 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine?
4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine has a molecular weight of 244.77 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibutyl-2-chloro-2H-1,3,5-triazin-1-amine is sourced from PubChem (CID 70634486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).