2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione

C10H13F3N4S — CID 83241432

IUPAC2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCCC(C(F)(F)F)C2)[nH]1
InChIInChI=1S/C10H13F3N4S/c11-10(12,13)6-3-1-2-5(4-6)7-15-8(14)17-9(18)16-7/h5-6H,1-4H2,(H3,14,15,16,17,18)
InChIKeyZKHMCJJFBGZZNP-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.95
Rot. Bonds1

About 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione

2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione (PubChem CID 83241432) has the molecular formula C10H13F3N4S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione
PubChem CID83241432
Molecular FormulaC10H13F3N4S
Molecular Weight278.30 g/mol
Exact Mass278.08
IUPAC Name2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCCC(C(F)(F)F)C2)[nH]1
InChIInChI=1S/C10H13F3N4S/c11-10(12,13)6-3-1-2-5(4-6)7-15-8(14)17-9(18)16-7/h5-6H,1-4H2,(H3,14,15,16,17,18)
InChIKeyZKHMCJJFBGZZNP-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione (CID 83241432) is 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(C2CCCC(C(F)(F)F)C2)[nH]1.
What is the InChIKey of 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione?
The InChIKey is ZKHMCJJFBGZZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4S/c11-10(12,13)6-3-1-2-5(4-6)7-15-8(14)17-9(18)16-7/h5-6H,1-4H2,(H3,14,15,16,17,18).
What are the key properties of 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione?
2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione has a molecular weight of 278.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).