[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine

C11H13Br2N5O — CID 106466623

IUPAC[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2c(Br)nnn2C)cc1Br
InChIInChI=1S/C11H13Br2N5O/c1-18-10(11(13)16-17-18)9(15-14)6-3-4-8(19-2)7(12)5-6/h3-5,9,15H,14H2,1-2H3
InChIKeyQFBOOCSYZGBNOK-UHFFFAOYSA-N
MW391.07 g/mol
LogP1.90
Rot. Bonds4

About [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine

[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 106466623) has the molecular formula C11H13Br2N5O and a molecular weight of 391.07 g/mol. Its IUPAC name is [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID106466623
Molecular FormulaC11H13Br2N5O
Molecular Weight391.07 g/mol
Exact Mass388.95
IUPAC Name[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2c(Br)nnn2C)cc1Br
InChIInChI=1S/C11H13Br2N5O/c1-18-10(11(13)16-17-18)9(15-14)6-3-4-8(19-2)7(12)5-6/h3-5,9,15H,14H2,1-2H3
InChIKeyQFBOOCSYZGBNOK-UHFFFAOYSA-N
XLogP1.90
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)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)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 106466158
[(3-bromo-4-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466170
[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
CID 106466615
[(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 106466710
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106466707
[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329820
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[(5-bromo-3-methyltriazol-4-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 106465091
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine (CID 106466623) is [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine is COc1ccc(C(NN)c2c(Br)nnn2C)cc1Br.
What is the InChIKey of [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is QFBOOCSYZGBNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N5O/c1-18-10(11(13)16-17-18)9(15-14)6-3-4-8(19-2)7(12)5-6/h3-5,9,15H,14H2,1-2H3.
What are the key properties of [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine?
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 391.07 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 106466623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).