2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

C12H17N3O4 — CID 95158173

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1[nH]c(=O)ccc1=O)[C@H]1CCCO1
InChIInChI=1S/C12H17N3O4/c1-8(9-3-2-6-19-9)13-11(17)7-15-12(18)5-4-10(16)14-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,17)(H,14,16)/t8-,9+/m0/s1
InChIKeyLVTVLPDIQDHZJS-DTWKUNHWSA-N
MW267.28 g/mol
LogP-0.78
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (PubChem CID 95158173) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
PubChem CID95158173
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1[nH]c(=O)ccc1=O)[C@H]1CCCO1
InChIInChI=1S/C12H17N3O4/c1-8(9-3-2-6-19-9)13-11(17)7-15-12(18)5-4-10(16)14-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,17)(H,14,16)/t8-,9+/m0/s1
InChIKeyLVTVLPDIQDHZJS-DTWKUNHWSA-N
XLogP-0.78
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide with MolForge

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35266239
2-(4-aminopyrazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533738
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 51079408
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (CID 95158173) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is C[C@H](NC(=O)Cn1[nH]c(=O)ccc1=O)[C@H]1CCCO1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is LVTVLPDIQDHZJS-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(9-3-2-6-19-9)13-11(17)7-15-12(18)5-4-10(16)14-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,17)(H,14,16)/t8-,9+/m0/s1.
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 267.28 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 95158173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).