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

C12H17N3O4 — CID 94414143

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H17N3O4/c16-9-4-2-1-3-8(9)13-11(18)7-15-12(19)6-5-10(17)14-15/h5-6,8-9,16H,1-4,7H2,(H,13,18)(H,14,17)/t8-,9-/m0/s1
InChIKeyXYOTVJJPYASIPT-IUCAKERBSA-N
MW267.28 g/mol
LogP-1.04
Rot. Bonds3

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 94414143) 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,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID94414143
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H17N3O4/c16-9-4-2-1-3-8(9)13-11(18)7-15-12(19)6-5-10(17)14-15/h5-6,8-9,16H,1-4,7H2,(H,13,18)(H,14,17)/t8-,9-/m0/s1
InChIKeyXYOTVJJPYASIPT-IUCAKERBSA-N
XLogP-1.04
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43389169
2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43572846
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55063979
N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61582147
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520574
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentan-2-yl)acetamide
CID 80294857
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414145
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634958
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxypentan-2-yl)acetamide
CID 104108567
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycycloheptyl)acetamide
CID 104282336
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide
CID 107363302
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxypentyl)acetamide
CID 107363304

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 94414143) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is XYOTVJJPYASIPT-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9-4-2-1-3-8(9)13-11(18)7-15-12(19)6-5-10(17)14-15/h5-6,8-9,16H,1-4,7H2,(H,13,18)(H,14,17)/t8-,9-/m0/s1.
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 267.28 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 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,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 94414143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).