2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile

C12H8F2N4 — CID 116971845

IUPAC2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile
SMILESN#CCNc1ccc(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C12H8F2N4/c13-8-1-2-10(14)9(7-8)11-3-4-12(18-17-11)16-6-5-15/h1-4,7H,6H2,(H,16,18)
InChIKeyOIMKQCNWUWGINP-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.36
Rot. Bonds3

About 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile

2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile (PubChem CID 116971845) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile
PubChem CID116971845
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile
SMILESN#CCNc1ccc(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C12H8F2N4/c13-8-1-2-10(14)9(7-8)11-3-4-12(18-17-11)16-6-5-15/h1-4,7H,6H2,(H,16,18)
InChIKeyOIMKQCNWUWGINP-UHFFFAOYSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile (CID 116971845) is 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile is N#CCNc1ccc(-c2cc(F)ccc2F)nn1.
What is the InChIKey of 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile?
The InChIKey is OIMKQCNWUWGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-8-1-2-10(14)9(7-8)11-3-4-12(18-17-11)16-6-5-15/h1-4,7H,6H2,(H,16,18).
What are the key properties of 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile?
2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile is sourced from PubChem (CID 116971845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).