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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241211
2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241537
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane
CID 166793466
3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazole
CID 112571687
[4-propan-2-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanamine
CID 115944004
3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684288
1-[5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860181
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
CID 97297725

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).