2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C18H20N6O — CID 122341661

IUPAC2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C18H20N6O/c25-18(15-21-7-1-2-8-21)24-13-11-23(12-14-24)17-6-5-16(19-20-17)22-9-3-4-10-22/h1-10H,11-15H2
InChIKeyQAPRWRBGOZYXHK-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.42
Rot. Bonds4

About 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122341661) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122341661
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C18H20N6O/c25-18(15-21-7-1-2-8-21)24-13-11-23(12-14-24)17-6-5-16(19-20-17)22-9-3-4-10-22/h1-10H,11-15H2
InChIKeyQAPRWRBGOZYXHK-UHFFFAOYSA-N
XLogP1.42
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341657
N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
3-(3-methylphenyl)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122341628
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122341455
3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 90539579
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
(4-bromothiophen-2-yl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341630

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 122341661) is 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(Cn1cccc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is QAPRWRBGOZYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(15-21-7-1-2-8-21)24-13-11-23(12-14-24)17-6-5-16(19-20-17)22-9-3-4-10-22/h1-10H,11-15H2.
What are the key properties of 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 336.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122341661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).