3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile

C8H8F2N4O — CID 106172214

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC(F)(F)CO
InChIInChI=1S/C8H8F2N4O/c9-8(10,5-15)4-12-7-6(3-11)1-2-13-14-7/h1-2,15H,4-5H2,(H,12,14)
InChIKeyIWYIBLRPBFGYPN-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.39
Rot. Bonds4

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile

3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile (PubChem CID 106172214) has the molecular formula C8H8F2N4O and a molecular weight of 214.17 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile
PubChem CID106172214
Molecular FormulaC8H8F2N4O
Molecular Weight214.17 g/mol
Exact Mass214.07
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC(F)(F)CO
InChIInChI=1S/C8H8F2N4O/c9-8(10,5-15)4-12-7-6(3-11)1-2-13-14-7/h1-2,15H,4-5H2,(H,12,14)
InChIKeyIWYIBLRPBFGYPN-UHFFFAOYSA-N
XLogP0.39
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile (CID 106172214) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is IWYIBLRPBFGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c9-8(10,5-15)4-12-7-6(3-11)1-2-13-14-7/h1-2,15H,4-5H2,(H,12,14).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 214.17 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106172214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).