[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C14H21N5O — CID 109111898

IUPAC[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(c2ccc(C(=O)N3CCCC3)nn2)CC1
InChIInChI=1S/C14H21N5O/c1-17-8-10-18(11-9-17)13-5-4-12(15-16-13)14(20)19-6-2-3-7-19/h4-5H,2-3,6-11H2,1H3
InChIKeyUINCLKLCCGBMHN-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.46
Rot. Bonds2

About [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111898) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111898
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(c2ccc(C(=O)N3CCCC3)nn2)CC1
InChIInChI=1S/C14H21N5O/c1-17-8-10-18(11-9-17)13-5-4-12(15-16-13)14(20)19-6-2-3-7-19/h4-5H,2-3,6-11H2,1H3
InChIKeyUINCLKLCCGBMHN-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111898) is [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is CN1CCN(c2ccc(C(=O)N3CCCC3)nn2)CC1.
What is the InChIKey of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UINCLKLCCGBMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-8-10-18(11-9-17)13-5-4-12(15-16-13)14(20)19-6-2-3-7-19/h4-5H,2-3,6-11H2,1H3.
What are the key properties of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 275.36 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).