6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine

C6H8FN5 — CID 69192885

IUPAC6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CC(F)c1nc(N)nc(N)n1
InChIInChI=1S/C6H8FN5/c1-2-3(7)4-10-5(8)12-6(9)11-4/h2-3H,1H2,(H4,8,9,10,11,12)
InChIKeyHCJJEGHXUNJDNW-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.23
Rot. Bonds2

About 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine

6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 69192885) has the molecular formula C6H8FN5 and a molecular weight of 169.16 g/mol. Its IUPAC name is 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID69192885
Molecular FormulaC6H8FN5
Molecular Weight169.16 g/mol
Exact Mass169.08
IUPAC Name6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CC(F)c1nc(N)nc(N)n1
InChIInChI=1S/C6H8FN5/c1-2-3(7)4-10-5(8)12-6(9)11-4/h2-3H,1H2,(H4,8,9,10,11,12)
InChIKeyHCJJEGHXUNJDNW-UHFFFAOYSA-N
XLogP0.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine 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 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 69192885) is 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CC(F)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HCJJEGHXUNJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN5/c1-2-3(7)4-10-5(8)12-6(9)11-4/h2-3H,1H2,(H4,8,9,10,11,12).
What are the key properties of 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 169.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 69192885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).