6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile

C8H8F2N4 — CID 131197479

IUPAC6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(F)F)nn1
InChIInChI=1S/C8H8F2N4/c9-7(10)3-4-12-8-2-1-6(5-11)13-14-8/h1-2,7H,3-4H2,(H,12,14)
InChIKeyDJMIAJZRBGPSJY-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.42
Rot. Bonds4

About 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile

6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile (PubChem CID 131197479) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile
PubChem CID131197479
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(F)F)nn1
InChIInChI=1S/C8H8F2N4/c9-7(10)3-4-12-8-2-1-6(5-11)13-14-8/h1-2,7H,3-4H2,(H,12,14)
InChIKeyDJMIAJZRBGPSJY-UHFFFAOYSA-N
XLogP1.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile (CID 131197479) is 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile is N#Cc1ccc(NCCC(F)F)nn1.
What is the InChIKey of 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile?
The InChIKey is DJMIAJZRBGPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-7(10)3-4-12-8-2-1-6(5-11)13-14-8/h1-2,7H,3-4H2,(H,12,14).
What are the key properties of 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile?
6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropropylamino)pyridazine-3-carbonitrile is sourced from PubChem (CID 131197479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).