[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine

C10H7BrF5N5 — CID 106466621

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7BrF5N5/c1-21-9(10(11)19-20-21)8(18-17)2-3(12)5(14)7(16)6(15)4(2)13/h8,18H,17H2,1H3
InChIKeyODANOKIGRPWLJY-UHFFFAOYSA-N
MW372.10 g/mol
LogP1.83
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine (PubChem CID 106466621) has the molecular formula C10H7BrF5N5 and a molecular weight of 372.10 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
PubChem CID106466621
Molecular FormulaC10H7BrF5N5
Molecular Weight372.10 g/mol
Exact Mass370.98
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7BrF5N5/c1-21-9(10(11)19-20-21)8(18-17)2-3(12)5(14)7(16)6(15)4(2)13/h8,18H,17H2,1H3
InChIKeyODANOKIGRPWLJY-UHFFFAOYSA-N
XLogP1.83
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine 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

(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 106466681
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
CID 106466615
[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979517
[(5-bromo-3-methyltriazol-4-yl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 106466380
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 106466629
[(3-bromo-4-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466170
[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
CID 106466743
[(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 106466710
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine (CID 106466621) is [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine is Cn1nnc(Br)c1C(NN)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The InChIKey is ODANOKIGRPWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF5N5/c1-21-9(10(11)19-20-21)8(18-17)2-3(12)5(14)7(16)6(15)4(2)13/h8,18H,17H2,1H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine has a molecular weight of 372.10 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine is sourced from PubChem (CID 106466621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).