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

C14H21N3O4 — CID 103968969

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H21N3O4/c18-10-14(6-2-1-3-7-14)9-15-12(20)8-17-13(21)5-4-11(19)16-17/h4-5,18H,1-3,6-10H2,(H,15,20)(H,16,19)
InChIKeyZFVFRWFDNSOHGU-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.40
Rot. Bonds5

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 103968969) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID103968969
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H21N3O4/c18-10-14(6-2-1-3-7-14)9-15-12(20)8-17-13(21)5-4-11(19)16-17/h4-5,18H,1-3,6-10H2,(H,15,20)(H,16,19)
InChIKeyZFVFRWFDNSOHGU-UHFFFAOYSA-N
XLogP-0.40
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520574
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527554
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929098
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113564
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65832566
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65904671
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926548
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123937
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 107363282
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 107363284
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 107363293
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 107363295

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 103968969) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is ZFVFRWFDNSOHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-10-14(6-2-1-3-7-14)9-15-12(20)8-17-13(21)5-4-11(19)16-17/h4-5,18H,1-3,6-10H2,(H,15,20)(H,16,19).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.40, 5 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-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 103968969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).