2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide

C12H17N3O4 — CID 43389169

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCC(O)CC1
InChIInChI=1S/C12H17N3O4/c16-9-3-1-8(2-4-9)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)
InChIKeyJGTCTLPATCFDMZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.04
Rot. Bonds3

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 43389169) 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-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
PubChem CID43389169
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCC(O)CC1
InChIInChI=1S/C12H17N3O4/c16-9-3-1-8(2-4-9)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)
InChIKeyJGTCTLPATCFDMZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide (CID 43389169) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCC(O)CC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is JGTCTLPATCFDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9-3-1-8(2-4-9)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).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-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-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 43389169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).