4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one

C14H16F3N5O — CID 746459

IUPAC4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(Nc2cccc(C(F)(F)F)c2)n(N)c1=O
InChIInChI=1S/C14H16F3N5O/c1-13(2,3)10-11(23)22(18)12(21-20-10)19-9-6-4-5-8(7-9)14(15,16)17/h4-7H,18H2,1-3H3,(H,19,21)
InChIKeyNLVCPAUMTWGFRN-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.41
Rot. Bonds2

About 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one

4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one (PubChem CID 746459) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one
PubChem CID746459
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(Nc2cccc(C(F)(F)F)c2)n(N)c1=O
InChIInChI=1S/C14H16F3N5O/c1-13(2,3)10-11(23)22(18)12(21-20-10)19-9-6-4-5-8(7-9)14(15,16)17/h4-7H,18H2,1-3H3,(H,19,21)
InChIKeyNLVCPAUMTWGFRN-UHFFFAOYSA-N
XLogP2.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one 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

4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one
CID 55282066
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7876426
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
3-tert-butyl-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578388
4-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 155344319
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54766055
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
CID 58578578
1-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556215

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one (CID 746459) is 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one is CC(C)(C)c1nnc(Nc2cccc(C(F)(F)F)c2)n(N)c1=O.
What is the InChIKey of 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one?
The InChIKey is NLVCPAUMTWGFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-13(2,3)10-11(23)22(18)12(21-20-10)19-9-6-4-5-8(7-9)14(15,16)17/h4-7H,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one?
4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one has a molecular weight of 327.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-tert-butyl-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5-one is sourced from PubChem (CID 746459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).