N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine

C6H6Cl2N4 — CID 88788963

IUPACN-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine
SMILESClC(Cl)=CCNc1ncncn1
InChIInChI=1S/C6H6Cl2N4/c7-5(8)1-2-10-6-11-3-9-4-12-6/h1,3-4H,2H2,(H,9,10,11,12)
InChIKeyVGXUSVRJBGJWLT-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.60
Rot. Bonds3

About N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine

N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 88788963) has the molecular formula C6H6Cl2N4 and a molecular weight of 205.05 g/mol. Its IUPAC name is N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID88788963
Molecular FormulaC6H6Cl2N4
Molecular Weight205.05 g/mol
Exact Mass204.00
IUPAC NameN-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine
SMILESClC(Cl)=CCNc1ncncn1
InChIInChI=1S/C6H6Cl2N4/c7-5(8)1-2-10-6-11-3-9-4-12-6/h1,3-4H,2H2,(H,9,10,11,12)
InChIKeyVGXUSVRJBGJWLT-UHFFFAOYSA-N
XLogP1.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-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 N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine (CID 88788963) is N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine is ClC(Cl)=CCNc1ncncn1.
What is the InChIKey of N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is VGXUSVRJBGJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4/c7-5(8)1-2-10-6-11-3-9-4-12-6/h1,3-4H,2H2,(H,9,10,11,12).
What are the key properties of N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine?
N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 205.05 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloroprop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 88788963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).