4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine

C6H6F2N4 — CID 70598290

IUPAC4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(F)nc(F)n1
InChIInChI=1S/C6H6F2N4/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H,9,10,11,12)
InChIKeyALHBAGJIYWAFKK-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.75
Rot. Bonds3

About 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 70598290) has the molecular formula C6H6F2N4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID70598290
Molecular FormulaC6H6F2N4
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(F)nc(F)n1
InChIInChI=1S/C6H6F2N4/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H,9,10,11,12)
InChIKeyALHBAGJIYWAFKK-UHFFFAOYSA-N
XLogP0.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 70598290) is 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(F)nc(F)n1.
What is the InChIKey of 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is ALHBAGJIYWAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H,9,10,11,12).
What are the key properties of 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 172.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70598290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).