[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine

C12H14BrN5O — CID 106466707

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14BrN5O/c1-18-11(12(13)16-17-18)10(15-14)8-2-3-9-7(6-8)4-5-19-9/h2-3,6,10,15H,4-5,14H2,1H3
InChIKeyYNROSCHOCVBXOA-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.07
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (PubChem CID 106466707) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
PubChem CID106466707
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14BrN5O/c1-18-11(12(13)16-17-18)10(15-14)8-2-3-9-7(6-8)4-5-19-9/h2-3,6,10,15H,4-5,14H2,1H3
InChIKeyYNROSCHOCVBXOA-UHFFFAOYSA-N
XLogP1.07
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.07
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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Related Compounds

[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105342182
[(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
[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105253191
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 106466158
[(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 107948484
[2,3-dihydro-1-benzofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methyl]hydrazine
CID 105333839
[2,3-dihydro-1-benzofuran-5-yl-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105333879
[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105333854
[(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105280541
[(2-chlorofuran-3-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106694707

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (CID 106466707) is [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is Cn1nnc(Br)c1C(NN)c1ccc2c(c1)CCO2.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The InChIKey is YNROSCHOCVBXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-18-11(12(13)16-17-18)10(15-14)8-2-3-9-7(6-8)4-5-19-9/h2-3,6,10,15H,4-5,14H2,1H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine has a molecular weight of 324.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is sourced from PubChem (CID 106466707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).