3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile

C8H7F3N4 — CID 80509749

IUPAC3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCC(F)(F)F
InChIInChI=1S/C8H7F3N4/c9-8(10,11)2-4-13-7-6(5-12)1-3-14-15-7/h1,3H,2,4H2,(H,13,15)
InChIKeyCUVSLJDAOGZCPL-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.71
Rot. Bonds3

About 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile

3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile (PubChem CID 80509749) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile
PubChem CID80509749
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCC(F)(F)F
InChIInChI=1S/C8H7F3N4/c9-8(10,11)2-4-13-7-6(5-12)1-3-14-15-7/h1,3H,2,4H2,(H,13,15)
InChIKeyCUVSLJDAOGZCPL-UHFFFAOYSA-N
XLogP1.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile (CID 80509749) is 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile?
The InChIKey is CUVSLJDAOGZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)2-4-13-7-6(5-12)1-3-14-15-7/h1,3H,2,4H2,(H,13,15).
What are the key properties of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile?
3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile has a molecular weight of 216.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).