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

C12H17N3O3 — CID 60635049

IUPACN-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-10-6-7-12(18)15(14-10)8-11(17)13-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,17)(H,14,16)
InChIKeyHMFBQKOOVDHKKB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.01
Rot. Bonds3

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

N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 60635049) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID60635049
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-10-6-7-12(18)15(14-10)8-11(17)13-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,17)(H,14,16)
InChIKeyHMFBQKOOVDHKKB-UHFFFAOYSA-N
XLogP-0.01
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1r,4r)-4-ammocyclohexyl)-3-hydroxy-1-methyl-1H-pyrazole-5-carboxamide
CID 132227806
1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one
CID 141154511
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
CID 4254899
1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
2-azepan-1-yl-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]acetamide
CID 50958758
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
CID 60634497
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60634761
1-[2-(Azepan-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634918
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 60636804
N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 60636998
1-Cyclohexyl-1,2-dihydropyridazine-3,6-dione
CID 71385091
N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide
CID 71628665

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 60635049) is N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is HMFBQKOOVDHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-6-7-12(18)15(14-10)8-11(17)13-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,17)(H,14,16).
What are the key properties of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 60635049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).