N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide

C11H15F2N3O3 — CID 104858281

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(F)(F)CO)ccc1=O
InChIInChI=1S/C11H15F2N3O3/c1-2-5-16-9(18)4-3-8(15-16)10(19)14-6-11(12,13)7-17/h3-4,17H,2,5-7H2,1H3,(H,14,19)
InChIKeyASZYYZKFTUXTTE-UHFFFAOYSA-N
MW275.25 g/mol
LogP0.01
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 104858281) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID104858281
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(F)(F)CO)ccc1=O
InChIInChI=1S/C11H15F2N3O3/c1-2-5-16-9(18)4-3-8(15-16)10(19)14-6-11(12,13)7-17/h3-4,17H,2,5-7H2,1H3,(H,14,19)
InChIKeyASZYYZKFTUXTTE-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 104858281) is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(F)(F)CO)ccc1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ASZYYZKFTUXTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c1-2-5-16-9(18)4-3-8(15-16)10(19)14-6-11(12,13)7-17/h3-4,17H,2,5-7H2,1H3,(H,14,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 275.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 104858281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).