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

C10H12FN5 — CID 107130852

IUPAC[(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cn[nH]n2)cc1F
InChIInChI=1S/C10H12FN5/c1-6-2-3-7(4-8(6)11)10(14-12)9-5-13-16-15-9/h2-5,10,14H,12H2,1H3,(H,13,15,16)
InChIKeyNZTATLIPTKWOPB-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.80
Rot. Bonds3

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

[(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine (PubChem CID 107130852) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
PubChem CID107130852
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name[(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cn[nH]n2)cc1F
InChIInChI=1S/C10H12FN5/c1-6-2-3-7(4-8(6)11)10(14-12)9-5-13-16-15-9/h2-5,10,14H,12H2,1H3,(H,13,15,16)
InChIKeyNZTATLIPTKWOPB-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

[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105201447
[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
CID 105254632
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
[(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 107130966
[(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131008
[(3-fluoro-4-methylphenyl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 107130968
[(3-fluoro-4-methylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105201418
[(3-fluoro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105201488
[(4-chloro-2,5-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131089
[(3-fluoro-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682690
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663
[(3-ethyl-1-methylpyrazol-4-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131050

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine (CID 107130852) is [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine is Cc1ccc(C(NN)c2cn[nH]n2)cc1F.
What is the InChIKey of [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
The InChIKey is NZTATLIPTKWOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-6-2-3-7(4-8(6)11)10(14-12)9-5-13-16-15-9/h2-5,10,14H,12H2,1H3,(H,13,15,16).
What are the key properties of [(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
[(3-fluoro-4-methylphenyl)-(2H-triazol-4-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-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 107130852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).