N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone

C12H18N4O3 — CID 171811048

IUPACN-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC(=O)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C6H7N3O2.C6H11NO/c1-4(10)8-5-2-6(11)9-7-3-5;1-6(8)7-4-2-3-5-7/h2-3H,1H3,(H2,8,9,10,11);2-5H2,1H3
InChIKeyMOQODTVMJXMHPP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.36
Rot. Bonds1

About N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone

N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone (PubChem CID 171811048) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
PubChem CID171811048
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC(=O)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C6H7N3O2.C6H11NO/c1-4(10)8-5-2-6(11)9-7-3-5;1-6(8)7-4-2-3-5-7/h2-3H,1H3,(H2,8,9,10,11);2-5H2,1H3
InChIKeyMOQODTVMJXMHPP-UHFFFAOYSA-N
XLogP0.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
5-(Butylamino)-3-pyridazinol
CID 66523135
N~2~-ethyl-N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70704758
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027
N~3~-isopropyl-N~3~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70717449

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone?
The IUPAC name of N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone (CID 171811048) is N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone?
The canonical SMILES for N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone is CC(=O)N1CCCC1.CC(=O)Nc1cn[nH]c(=O)c1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone?
The InChIKey is MOQODTVMJXMHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C6H11NO/c1-4(10)8-5-2-6(11)9-7-3-5;1-6(8)7-4-2-3-5-7/h2-3H,1H3,(H2,8,9,10,11);2-5H2,1H3.
What are the key properties of N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone?
N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 171811048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).