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

C6H8FN5 — CID 69192892

IUPAC6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC=CF)n1
InChIInChI=1S/C6H8FN5/c7-3-1-2-4-10-5(8)12-6(9)11-4/h1,3H,2H2,(H4,8,9,10,11,12)
InChIKeyZBUVZKLBPIVHDM-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.06
Rot. Bonds2

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

6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 69192892) has the molecular formula C6H8FN5 and a molecular weight of 169.16 g/mol. Its IUPAC name is 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID69192892
Molecular FormulaC6H8FN5
Molecular Weight169.16 g/mol
Exact Mass169.08
IUPAC Name6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC=CF)n1
InChIInChI=1S/C6H8FN5/c7-3-1-2-4-10-5(8)12-6(9)11-4/h1,3H,2H2,(H4,8,9,10,11,12)
InChIKeyZBUVZKLBPIVHDM-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 69192892) is 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CC=CF)n1.
What is the InChIKey of 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZBUVZKLBPIVHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN5/c7-3-1-2-4-10-5(8)12-6(9)11-4/h1,3H,2H2,(H4,8,9,10,11,12).
What are the key properties of 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 169.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 69192892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).