[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine

C13H13BrN4O — CID 103129682

IUPAC[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine
SMILESCn1nc(C(NN)c2occc2Br)c2ccccc21
InChIInChI=1S/C13H13BrN4O/c1-18-10-5-3-2-4-8(10)11(17-18)12(16-15)13-9(14)6-7-19-13/h2-7,12,16H,15H2,1H3
InChIKeyHHULIJWSPPLBEL-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.48
Rot. Bonds3

About [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine

[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine (PubChem CID 103129682) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine
PubChem CID103129682
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine
SMILESCn1nc(C(NN)c2occc2Br)c2ccccc21
InChIInChI=1S/C13H13BrN4O/c1-18-10-5-3-2-4-8(10)11(17-18)12(16-15)13-9(14)6-7-19-13/h2-7,12,16H,15H2,1H3
InChIKeyHHULIJWSPPLBEL-UHFFFAOYSA-N
XLogP2.48
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.48
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

[(4-bromo-1-methylpyrazol-5-yl)-(1-methylindazol-3-yl)methyl]hydrazine
CID 103129989
[(1-methylindazol-3-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 103129872
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
[(3-bromofuran-2-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263950
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
CID 103129037
[(3-bromofuran-2-yl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105309165
3-(difluoromethyl)-1-methylindazole
CID 153487584
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103128186
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504907
[(1-methylindazol-3-yl)-(oxan-4-yl)methyl]hydrazine
CID 103129649
1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126239

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine (CID 103129682) is [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine is Cn1nc(C(NN)c2occc2Br)c2ccccc21.
What is the InChIKey of [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine?
The InChIKey is HHULIJWSPPLBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-18-10-5-3-2-4-8(10)11(17-18)12(16-15)13-9(14)6-7-19-13/h2-7,12,16H,15H2,1H3.
What are the key properties of [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine has a molecular weight of 321.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 103129682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).