[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C14H16FN5O — CID 105316414

IUPAC[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCc1c(C(Cc2ncnn2C)NN)oc2ccc(F)cc12
InChIInChI=1S/C14H16FN5O/c1-8-10-5-9(15)3-4-12(10)21-14(8)11(19-16)6-13-17-7-18-20(13)2/h3-5,7,11,19H,6,16H2,1-2H3
InChIKeyUPPWAKZDSQSASJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.76
Rot. Bonds4

About [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105316414) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105316414
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCc1c(C(Cc2ncnn2C)NN)oc2ccc(F)cc12
InChIInChI=1S/C14H16FN5O/c1-8-10-5-9(15)3-4-12(10)21-14(8)11(19-16)6-13-17-7-18-20(13)2/h3-5,7,11,19H,6,16H2,1-2H3
InChIKeyUPPWAKZDSQSASJ-UHFFFAOYSA-N
XLogP1.76
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.76
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

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
[1-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105215350
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316478
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
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[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105113810
[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105197069
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105112280
[1-(2,4-dimethylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316455
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148590
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211662

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105316414) is [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is Cc1c(C(Cc2ncnn2C)NN)oc2ccc(F)cc12.
What is the InChIKey of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is UPPWAKZDSQSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-8-10-5-9(15)3-4-12(10)21-14(8)11(19-16)6-13-17-7-18-20(13)2/h3-5,7,11,19H,6,16H2,1-2H3.
What are the key properties of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 289.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105316414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).