[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine

C12H13FN4O — CID 107660720

IUPAC[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCc1cccc(OCc2cnc(NN)cn2)c1F
InChIInChI=1S/C12H13FN4O/c1-8-3-2-4-10(12(8)13)18-7-9-5-16-11(17-14)6-15-9/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyRWWHSJGBLBZRJM-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.79
Rot. Bonds4

About [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 107660720) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID107660720
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCc1cccc(OCc2cnc(NN)cn2)c1F
InChIInChI=1S/C12H13FN4O/c1-8-3-2-4-10(12(8)13)18-7-9-5-16-11(17-14)6-15-9/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyRWWHSJGBLBZRJM-UHFFFAOYSA-N
XLogP1.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
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

[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058135
[6-[(2-fluoro-3-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 107661220
2-[(5-hydrazinylpyrazin-2-yl)methoxy]benzamide
CID 103061902
[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061930
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061966
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine (CID 107660720) is [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine is Cc1cccc(OCc2cnc(NN)cn2)c1F.
What is the InChIKey of [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is RWWHSJGBLBZRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-3-2-4-10(12(8)13)18-7-9-5-16-11(17-14)6-15-9/h2-6H,7,14H2,1H3,(H,16,17).
What are the key properties of [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 248.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 107660720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).