(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C15H23N5O — CID 109111739

IUPAC(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C15H23N5O/c1-2-18-9-11-20(12-10-18)15(21)13-5-6-14(17-16-13)19-7-3-4-8-19/h5-6H,2-4,7-12H2,1H3
InChIKeyXFDZRBSFVFBBGD-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.85
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 109111739) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID109111739
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C15H23N5O/c1-2-18-9-11-20(12-10-18)15(21)13-5-6-14(17-16-13)19-7-3-4-8-19/h5-6H,2-4,7-12H2,1H3
InChIKeyXFDZRBSFVFBBGD-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 109111739) is (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is CCN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is XFDZRBSFVFBBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-18-9-11-20(12-10-18)15(21)13-5-6-14(17-16-13)19-7-3-4-8-19/h5-6H,2-4,7-12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 109111739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).