6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine

C12H11F2N3 — CID 62201604

IUPAC6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H11F2N3/c1-2-15-12-6-5-11(16-17-12)8-3-4-9(13)10(14)7-8/h3-7H,2H2,1H3,(H,15,17)
InChIKeyRUZLFLYMTRPROM-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.85
Rot. Bonds3

About 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine

6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine (PubChem CID 62201604) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
PubChem CID62201604
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H11F2N3/c1-2-15-12-6-5-11(16-17-12)8-3-4-9(13)10(14)7-8/h3-7H,2H2,1H3,(H,15,17)
InChIKeyRUZLFLYMTRPROM-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine (CID 62201604) is 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine is CCNc1ccc(-c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine?
The InChIKey is RUZLFLYMTRPROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-2-15-12-6-5-11(16-17-12)8-3-4-9(13)10(14)7-8/h3-7H,2H2,1H3,(H,15,17).
What are the key properties of 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine?
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine has a molecular weight of 235.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine is sourced from PubChem (CID 62201604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).