4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one

C7H9F2N3O2 — CID 106179641

IUPAC4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(NCC(F)(F)CO)cn[nH]1
InChIInChI=1S/C7H9F2N3O2/c8-7(9,4-13)3-10-5-1-6(14)12-11-2-5/h1-2,13H,3-4H2,(H2,10,12,14)
InChIKeyBOMKEWXSHZYHBK-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.19
Rot. Bonds4

About 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one

4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one (PubChem CID 106179641) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
PubChem CID106179641
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(NCC(F)(F)CO)cn[nH]1
InChIInChI=1S/C7H9F2N3O2/c8-7(9,4-13)3-10-5-1-6(14)12-11-2-5/h1-2,13H,3-4H2,(H2,10,12,14)
InChIKeyBOMKEWXSHZYHBK-UHFFFAOYSA-N
XLogP-0.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one (CID 106179641) is 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one is O=c1cc(NCC(F)(F)CO)cn[nH]1.
What is the InChIKey of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
The InChIKey is BOMKEWXSHZYHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c8-7(9,4-13)3-10-5-1-6(14)12-11-2-5/h1-2,13H,3-4H2,(H2,10,12,14).
What are the key properties of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one has a molecular weight of 205.16 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 106179641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).