4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine

C12H7F3N6 — CID 115503366

IUPAC4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(F)c(F)cc2F)nc(-n2ccnc2)n1
InChIInChI=1S/C12H7F3N6/c13-7-4-9(15)8(14)3-6(7)10-18-11(16)20-12(19-10)21-2-1-17-5-21/h1-5H,(H2,16,18,19,20)
InChIKeyVPODDSCBDQBJGW-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.72
Rot. Bonds2

About 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 115503366) has the molecular formula C12H7F3N6 and a molecular weight of 292.22 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
PubChem CID115503366
Molecular FormulaC12H7F3N6
Molecular Weight292.22 g/mol
Exact Mass292.07
IUPAC Name4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(F)c(F)cc2F)nc(-n2ccnc2)n1
InChIInChI=1S/C12H7F3N6/c13-7-4-9(15)8(14)3-6(7)10-18-11(16)20-12(19-10)21-2-1-17-5-21/h1-5H,(H2,16,18,19,20)
InChIKeyVPODDSCBDQBJGW-UHFFFAOYSA-N
XLogP1.72
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-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

Related Compounds

4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79743243
4-(2-fluoro-4,6-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106882750
4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 82792598
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 115375454
4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81129851
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000
4-imidazol-1-yl-6-(3-methoxypyrazin-2-yl)-1,3,5-triazin-2-amine
CID 104516651
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79699581
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine (CID 115503366) is 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2cc(F)c(F)cc2F)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is VPODDSCBDQBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N6/c13-7-4-9(15)8(14)3-6(7)10-18-11(16)20-12(19-10)21-2-1-17-5-21/h1-5H,(H2,16,18,19,20).
What are the key properties of 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 292.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).