N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

C9H11F2N3O3 — CID 104857731

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)(F)CO)ccc1=O
InChIInChI=1S/C9H11F2N3O3/c1-14-7(16)3-2-6(13-14)8(17)12-4-9(10,11)5-15/h2-3,15H,4-5H2,1H3,(H,12,17)
InChIKeyLXFZHRWBCDICOF-UHFFFAOYSA-N
MW247.20 g/mol
LogP-0.86
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 104857731) has the molecular formula C9H11F2N3O3 and a molecular weight of 247.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID104857731
Molecular FormulaC9H11F2N3O3
Molecular Weight247.20 g/mol
Exact Mass247.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)(F)CO)ccc1=O
InChIInChI=1S/C9H11F2N3O3/c1-14-7(16)3-2-6(13-14)8(17)12-4-9(10,11)5-15/h2-3,15H,4-5H2,1H3,(H,12,17)
InChIKeyLXFZHRWBCDICOF-UHFFFAOYSA-N
XLogP-0.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-0.86
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)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 104857731) is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(F)(F)CO)ccc1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is LXFZHRWBCDICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3/c1-14-7(16)3-2-6(13-14)8(17)12-4-9(10,11)5-15/h2-3,15H,4-5H2,1H3,(H,12,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 247.20 g/mol, XLogP of -0.86, 4 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)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 104857731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).