2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C12H9ClFN7 — CID 107371050

IUPAC2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cc(F)cc(Cl)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H9ClFN7/c13-7-3-8(14)5-9(4-7)17-11-18-10(15)19-12(20-11)21-2-1-16-6-21/h1-6H,(H3,15,17,18,19,20)
InChIKeyNIQQSKWWQJIHHC-UHFFFAOYSA-N
MW305.70 g/mol
LogP2.18
Rot. Bonds3

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

2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 107371050) has the molecular formula C12H9ClFN7 and a molecular weight of 305.70 g/mol. Its IUPAC name is 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID107371050
Molecular FormulaC12H9ClFN7
Molecular Weight305.70 g/mol
Exact Mass305.06
IUPAC Name2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cc(F)cc(Cl)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H9ClFN7/c13-7-3-8(14)5-9(4-7)17-11-18-10(15)19-12(20-11)21-2-1-16-6-21/h1-6H,(H3,15,17,18,19,20)
InChIKeyNIQQSKWWQJIHHC-UHFFFAOYSA-N
XLogP2.18
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine 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-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737116
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503366

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 107371050) is 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cc(F)cc(Cl)c2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NIQQSKWWQJIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN7/c13-7-3-8(14)5-9(4-7)17-11-18-10(15)19-12(20-11)21-2-1-16-6-21/h1-6H,(H3,15,17,18,19,20).
What are the key properties of 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107371050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).