4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H7Cl2FN6 — CID 62870705

IUPAC4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1Cl
InChIInChI=1S/C12H7Cl2FN6/c13-8-5-7(1-2-9(8)15)17-11-18-10(14)19-12(20-11)21-4-3-16-6-21/h1-6H,(H,17,18,19,20)
InChIKeyVRLVLXMABOKIHA-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.25
Rot. Bonds3

About 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62870705) has the molecular formula C12H7Cl2FN6 and a molecular weight of 325.13 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62870705
Molecular FormulaC12H7Cl2FN6
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC Name4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1Cl
InChIInChI=1S/C12H7Cl2FN6/c13-8-5-7(1-2-9(8)15)17-11-18-10(14)19-12(20-11)21-4-3-16-6-21/h1-6H,(H,17,18,19,20)
InChIKeyVRLVLXMABOKIHA-UHFFFAOYSA-N
XLogP3.25
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868980
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 107371050
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737116
4-chloro-N-(4-chloro-3-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62862884
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868994
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 62870705) is 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VRLVLXMABOKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN6/c13-8-5-7(1-2-9(8)15)17-11-18-10(14)19-12(20-11)21-4-3-16-6-21/h1-6H,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 325.13 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).