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

C11H15F2N3O4 — CID 104858067

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCC(F)(F)CO)ccc1=O
InChIInChI=1S/C11H15F2N3O4/c1-20-5-4-16-9(18)3-2-8(15-16)10(19)14-6-11(12,13)7-17/h2-3,17H,4-7H2,1H3,(H,14,19)
InChIKeyVVGMFHSQFIHEFG-UHFFFAOYSA-N
MW291.25 g/mol
LogP-0.75
Rot. Bonds7

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

N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 104858067) has the molecular formula C11H15F2N3O4 and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID104858067
Molecular FormulaC11H15F2N3O4
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCC(F)(F)CO)ccc1=O
InChIInChI=1S/C11H15F2N3O4/c1-20-5-4-16-9(18)3-2-8(15-16)10(19)14-6-11(12,13)7-17/h2-3,17H,4-7H2,1H3,(H,14,19)
InChIKeyVVGMFHSQFIHEFG-UHFFFAOYSA-N
XLogP-0.75
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 104858067) is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCC(F)(F)CO)ccc1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is VVGMFHSQFIHEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O4/c1-20-5-4-16-9(18)3-2-8(15-16)10(19)14-6-11(12,13)7-17/h2-3,17H,4-7H2,1H3,(H,14,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 291.25 g/mol, XLogP of -0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 104858067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).