N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine

C11H12FN5 — CID 80927661

IUPACN-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
SMILESCc1cc(F)ccc1Nc1cncc(NN)n1
InChIInChI=1S/C11H12FN5/c1-7-4-8(12)2-3-9(7)15-10-5-14-6-11(16-10)17-13/h2-6H,13H2,1H3,(H2,15,16,17)
InChIKeyFIRPKMHDAAZVIE-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.95
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine

N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine (PubChem CID 80927661) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
PubChem CID80927661
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
SMILESCc1cc(F)ccc1Nc1cncc(NN)n1
InChIInChI=1S/C11H12FN5/c1-7-4-8(12)2-3-9(7)15-10-5-14-6-11(16-10)17-13/h2-6H,13H2,1H3,(H2,15,16,17)
InChIKeyFIRPKMHDAAZVIE-UHFFFAOYSA-N
XLogP1.95
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.95
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine (CID 80927661) is N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine is Cc1cc(F)ccc1Nc1cncc(NN)n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
The InChIKey is FIRPKMHDAAZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-7-4-8(12)2-3-9(7)15-10-5-14-6-11(16-10)17-13/h2-6H,13H2,1H3,(H2,15,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine is sourced from PubChem (CID 80927661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).