1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol

C7H9F2N3O — CID 103731306

IUPAC1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol
SMILESOC(CNc1cccnn1)C(F)F
InChIInChI=1S/C7H9F2N3O/c8-7(9)5(13)4-10-6-2-1-3-11-12-6/h1-3,5,7,13H,4H2,(H,10,12)
InChIKeyHHEVQDOAXRIUIW-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.51
Rot. Bonds4

About 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol

1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol (PubChem CID 103731306) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol
PubChem CID103731306
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol
SMILESOC(CNc1cccnn1)C(F)F
InChIInChI=1S/C7H9F2N3O/c8-7(9)5(13)4-10-6-2-1-3-11-12-6/h1-3,5,7,13H,4H2,(H,10,12)
InChIKeyHHEVQDOAXRIUIW-UHFFFAOYSA-N
XLogP0.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol (CID 103731306) is 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol is OC(CNc1cccnn1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol?
The InChIKey is HHEVQDOAXRIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)5(13)4-10-6-2-1-3-11-12-6/h1-3,5,7,13H,4H2,(H,10,12).
What are the key properties of 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol?
1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol has a molecular weight of 189.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(pyridazin-3-ylamino)propan-2-ol is sourced from PubChem (CID 103731306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).