N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C12H17F2N3O4 — CID 107482478

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N(CCO)CC(F)F)ccc1=O
InChIInChI=1S/C12H17F2N3O4/c1-21-7-5-17-11(19)3-2-9(15-17)12(20)16(4-6-18)8-10(13)14/h2-3,10,18H,4-8H2,1H3
InChIKeyCSGHHRHDUASYAV-UHFFFAOYSA-N
MW305.28 g/mol
LogP-0.41
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 107482478) has the molecular formula C12H17F2N3O4 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID107482478
Molecular FormulaC12H17F2N3O4
Molecular Weight305.28 g/mol
Exact Mass305.12
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N(CCO)CC(F)F)ccc1=O
InChIInChI=1S/C12H17F2N3O4/c1-21-7-5-17-11(19)3-2-9(15-17)12(20)16(4-6-18)8-10(13)14/h2-3,10,18H,4-8H2,1H3
InChIKeyCSGHHRHDUASYAV-UHFFFAOYSA-N
XLogP-0.41
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
2-methyl-6-(3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl)pyridazin-3(2H)-one
CID 119101616
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
6-oxo-N,1-dipropyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 53510708
Ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 56181382
2-(3-Methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one
CID 75432332
2-[(1-Methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990612
1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
CID 81341176
6-Methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
CID 86818472
1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
CID 86833465
Ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 86864658
2-[(2S)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824500

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 107482478) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)N(CCO)CC(F)F)ccc1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CSGHHRHDUASYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O4/c1-21-7-5-17-11(19)3-2-9(15-17)12(20)16(4-6-18)8-10(13)14/h2-3,10,18H,4-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 305.28 g/mol, XLogP of -0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 107482478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).