[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine

C11H10FN5O — CID 105230636

IUPAC[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESNNC(c1ncn[nH]1)c1cc2cccc(F)c2o1
InChIInChI=1S/C11H10FN5O/c12-7-3-1-2-6-4-8(18-10(6)7)9(16-13)11-14-5-15-17-11/h1-5,9,16H,13H2,(H,14,15,17)
InChIKeyOZFWOYRWUZENRG-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.24
Rot. Bonds3

About [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine

[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine (PubChem CID 105230636) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
PubChem CID105230636
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESNNC(c1ncn[nH]1)c1cc2cccc(F)c2o1
InChIInChI=1S/C11H10FN5O/c12-7-3-1-2-6-4-8(18-10(6)7)9(16-13)11-14-5-15-17-11/h1-5,9,16H,13H2,(H,14,15,17)
InChIKeyOZFWOYRWUZENRG-UHFFFAOYSA-N
XLogP1.24
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.24
H-Bond Donors ≤ 53
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

[(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258723
[(3,4-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105257216
[(3,5-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339255
[(3,5-dimethyl-2-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105266541
[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 102813247
[(3-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230496
[(7-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200864
[(7-fluoro-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190989
[(3-ethyl-4-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262308
[(3-bromo-5-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105238779
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114

Frequently Asked Questions

What is the IUPAC name of [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The IUPAC name of [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine (CID 105230636) is [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine is NNC(c1ncn[nH]1)c1cc2cccc(F)c2o1.
What is the InChIKey of [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The InChIKey is OZFWOYRWUZENRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-7-3-1-2-6-4-8(18-10(6)7)9(16-13)11-14-5-15-17-11/h1-5,9,16H,13H2,(H,14,15,17).
What are the key properties of [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine has a molecular weight of 247.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).