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

C10H10BrCl2N5 — CID 106466629

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10BrCl2N5/c1-18-9(10(11)16-17-18)8(15-14)5-3-2-4-6(12)7(5)13/h2-4,8,15H,14H2,1H3
InChIKeyKRRFHOXLMWZYFZ-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.44
Rot. Bonds3

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

[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine (PubChem CID 106466629) has the molecular formula C10H10BrCl2N5 and a molecular weight of 351.04 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
PubChem CID106466629
Molecular FormulaC10H10BrCl2N5
Molecular Weight351.04 g/mol
Exact Mass348.95
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10BrCl2N5/c1-18-9(10(11)16-17-18)8(15-14)5-3-2-4-6(12)7(5)13/h2-4,8,15H,14H2,1H3
InChIKeyKRRFHOXLMWZYFZ-UHFFFAOYSA-N
XLogP2.44
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5-bromo-3-methyltriazol-4-yl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 106466380
[(3-bromo-4-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466170
[(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 106466710
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
CID 106466615
[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
CID 106466743
[(2-bromophenyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105208673
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105301694
[(3-chloro-2-methylphenyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 107103660
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
N-[(2-bromo-3-methylphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]ethanamine
CID 107985564

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine (CID 106466629) is [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine is Cn1nnc(Br)c1C(NN)c1cccc(Cl)c1Cl.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine?
The InChIKey is KRRFHOXLMWZYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2N5/c1-18-9(10(11)16-17-18)8(15-14)5-3-2-4-6(12)7(5)13/h2-4,8,15H,14H2,1H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine has a molecular weight of 351.04 g/mol, XLogP of 2.44, 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-dichlorophenyl)methyl]hydrazine is sourced from PubChem (CID 106466629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).