4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C9H11F3N4 — CID 79964614

IUPAC4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)4-3-6-14-7(5-1-2-5)16-8(13)15-6/h5H,1-4H2,(H2,13,14,15,16)
InChIKeyQQXLCKNJIUGIHY-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.83
Rot. Bonds3

About 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 79964614) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID79964614
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)4-3-6-14-7(5-1-2-5)16-8(13)15-6/h5H,1-4H2,(H2,13,14,15,16)
InChIKeyQQXLCKNJIUGIHY-UHFFFAOYSA-N
XLogP1.83
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-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 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 79964614) is 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is Nc1nc(CCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is QQXLCKNJIUGIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)4-3-6-14-7(5-1-2-5)16-8(13)15-6/h5H,1-4H2,(H2,13,14,15,16).
What are the key properties of 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 232.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79964614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).