3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

C18H23N5O3 — CID 110814648

IUPAC3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(C)n1C
InChIInChI=1S/C18H23N5O3/c1-12-10-14(13(2)21(12)3)11-17(25)22-6-8-23(9-7-22)18(26)15-4-5-16(24)20-19-15/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyZNHFNOIXIUDEAU-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.25
Rot. Bonds3

About 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110814648) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110814648
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(C)n1C
InChIInChI=1S/C18H23N5O3/c1-12-10-14(13(2)21(12)3)11-17(25)22-6-8-23(9-7-22)18(26)15-4-5-16(24)20-19-15/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyZNHFNOIXIUDEAU-UHFFFAOYSA-N
XLogP0.25
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110815046
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110807993
3-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804402
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110808027
2-methyl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110806399
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
1-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110814922
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110802364

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110814648) is 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1cc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(C)n1C.
What is the InChIKey of 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ZNHFNOIXIUDEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-10-14(13(2)21(12)3)11-17(25)22-6-8-23(9-7-22)18(26)15-4-5-16(24)20-19-15/h4-5,10H,6-9,11H2,1-3H3,(H,20,24).
What are the key properties of 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 357.41 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110814648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).