[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine

C11H13F2N5O — CID 105337538

IUPAC[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2N5O/c1-18-9(6-15-17-18)10(16-14)7-3-2-4-8(5-7)19-11(12)13/h2-6,10-11,16H,14H2,1H3
InChIKeyNZKMDIZNPJKNNL-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.97
Rot. Bonds5

About [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine

[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 105337538) has the molecular formula C11H13F2N5O and a molecular weight of 269.26 g/mol. Its IUPAC name is [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID105337538
Molecular FormulaC11H13F2N5O
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2N5O/c1-18-9(6-15-17-18)10(16-14)7-3-2-4-8(5-7)19-11(12)13/h2-6,10-11,16H,14H2,1H3
InChIKeyNZKMDIZNPJKNNL-UHFFFAOYSA-N
XLogP0.97
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.97
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-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038760
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[[3-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methyl]hydrazine
CID 105303330
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 103217790
[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337638
[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
[(3-ethyl-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283558
[(4-chloro-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105338783
[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329486
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316127

Frequently Asked Questions

What is the IUPAC name of [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine (CID 105337538) is [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine is Cn1nncc1C(NN)c1cccc(OC(F)F)c1.
What is the InChIKey of [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is NZKMDIZNPJKNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c1-18-9(6-15-17-18)10(16-14)7-3-2-4-8(5-7)19-11(12)13/h2-6,10-11,16H,14H2,1H3.
What are the key properties of [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine?
[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 269.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105337538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).