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

C10H12FN5 — CID 105230645

IUPAC[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)c2ncn[nH]2)c1
InChIInChI=1S/C10H12FN5/c1-6-2-7(4-8(11)3-6)9(15-12)10-13-5-14-16-10/h2-5,9,15H,12H2,1H3,(H,13,14,16)
InChIKeyXTAUHPGLTHOGGB-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.80
Rot. Bonds3

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

[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine (PubChem CID 105230645) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
PubChem CID105230645
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)c2ncn[nH]2)c1
InChIInChI=1S/C10H12FN5/c1-6-2-7(4-8(11)3-6)9(15-12)10-13-5-14-16-10/h2-5,9,15H,12H2,1H3,(H,13,14,16)
InChIKeyXTAUHPGLTHOGGB-UHFFFAOYSA-N
XLogP0.80
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 79704367
[(3-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230496
[(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230618
[(3-fluoro-5-methylphenyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254568
[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325316
[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230377
[(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105279605
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230315
[(3-fluoro-5-methylphenyl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209392
[(3-fluoro-5-methylphenyl)-(4-propylphenyl)methyl]hydrazine
CID 105257373
[(4-ethylsulfanylphenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 106850374

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine (CID 105230645) is [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine is Cc1cc(F)cc(C(NN)c2ncn[nH]2)c1.
What is the InChIKey of [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The InChIKey is XTAUHPGLTHOGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-6-2-7(4-8(11)3-6)9(15-12)10-13-5-14-16-10/h2-5,9,15H,12H2,1H3,(H,13,14,16).
What are the key properties of [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine has a molecular weight of 221.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105230645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).