[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine

C10H11BrN4OS — CID 103375712

IUPAC[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cscc2Br)nn1
InChIInChI=1S/C10H11BrN4OS/c1-16-9-3-2-8(14-15-9)10(13-12)6-4-17-5-7(6)11/h2-5,10,13H,12H2,1H3
InChIKeyVSYRLGPCMJCNSD-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.86
Rot. Bonds4

About [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine (PubChem CID 103375712) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
PubChem CID103375712
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cscc2Br)nn1
InChIInChI=1S/C10H11BrN4OS/c1-16-9-3-2-8(14-15-9)10(13-12)6-4-17-5-7(6)11/h2-5,10,13H,12H2,1H3
InChIKeyVSYRLGPCMJCNSD-UHFFFAOYSA-N
XLogP1.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.86
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'}

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Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine (CID 103375712) is [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine is COc1ccc(C(NN)c2cscc2Br)nn1.
What is the InChIKey of [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine?
The InChIKey is VSYRLGPCMJCNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-16-9-3-2-8(14-15-9)10(13-12)6-4-17-5-7(6)11/h2-5,10,13H,12H2,1H3.
What are the key properties of [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine has a molecular weight of 315.20 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine is sourced from PubChem (CID 103375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).