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

C13H19N3O4 — CID 106123937

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H19N3O4/c17-10-3-1-9(2-4-10)7-14-12(19)8-16-13(20)6-5-11(18)15-16/h5-6,9-10,17H,1-4,7-8H2,(H,14,19)(H,15,18)
InChIKeyVPPODQKKHURKRY-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.80
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106123937) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106123937
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H19N3O4/c17-10-3-1-9(2-4-10)7-14-12(19)8-16-13(20)6-5-11(18)15-16/h5-6,9-10,17H,1-4,7-8H2,(H,14,19)(H,15,18)
InChIKeyVPPODQKKHURKRY-UHFFFAOYSA-N
XLogP-0.80
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.80
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)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106123937) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is VPPODQKKHURKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-10-3-1-9(2-4-10)7-14-12(19)8-16-13(20)6-5-11(18)15-16/h5-6,9-10,17H,1-4,7-8H2,(H,14,19)(H,15,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.80, 4 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)methyl]acetamide is sourced from PubChem (CID 106123937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).