4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C11H12BrFN6O — CID 80921724

IUPAC4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H12BrFN6O/c1-19(2)10-15-9(18-14)16-11(17-10)20-6-3-4-7(12)8(13)5-6/h3-5H,14H2,1-2H3,(H,15,16,17,18)
InChIKeyQXUJTVPCLOACLI-UHFFFAOYSA-N
MW343.16 g/mol
LogP1.92
Rot. Bonds4

About 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 80921724) has the molecular formula C11H12BrFN6O and a molecular weight of 343.16 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID80921724
Molecular FormulaC11H12BrFN6O
Molecular Weight343.16 g/mol
Exact Mass342.02
IUPAC Name4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H12BrFN6O/c1-19(2)10-15-9(18-14)16-11(17-10)20-6-3-4-7(12)8(13)5-6/h3-5H,14H2,1-2H3,(H,15,16,17,18)
InChIKeyQXUJTVPCLOACLI-UHFFFAOYSA-N
XLogP1.92
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-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-(4-bromo-3-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65203549
[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80925336
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916652
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
CID 107710379
2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107608454
4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82825396
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 80921724) is 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is QXUJTVPCLOACLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN6O/c1-19(2)10-15-9(18-14)16-11(17-10)20-6-3-4-7(12)8(13)5-6/h3-5H,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 343.16 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80921724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).