(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone

C14H21N5O — CID 118740209

IUPAC(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3cccnn3)C2)CC1
InChIInChI=1S/C14H21N5O/c1-17-7-9-18(10-8-17)14(20)12-4-6-19(11-12)13-3-2-5-15-16-13/h2-3,5,12H,4,6-11H2,1H3
InChIKeyQKDDGRFOYZEPCU-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.08
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone (PubChem CID 118740209) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
PubChem CID118740209
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3cccnn3)C2)CC1
InChIInChI=1S/C14H21N5O/c1-17-7-9-18(10-8-17)14(20)12-4-6-19(11-12)13-3-2-5-15-16-13/h2-3,5,12H,4,6-11H2,1H3
InChIKeyQKDDGRFOYZEPCU-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 71807484
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 71807485
1-{4-[5-(Dimethylamino)pyridazin-3-YL]piperazin-1-YL}-2-methylpropan-1-one
CID 71807486
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3-methylbutan-1-one
CID 71807488
1-(4-(6-(Pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 71807512
(1-Methylpyrrolidin-3-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 72142380
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95817059
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 95826552
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
CID 110257923
1-[4-(1-Pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110257965
Morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
CID 110269126
Tert-butyl 4-pyridazin-3-ylpiperazine-1-carboxylate
CID 21925497

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone (CID 118740209) is (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone is CN1CCN(C(=O)C2CCN(c3cccnn3)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
The InChIKey is QKDDGRFOYZEPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-7-9-18(10-8-17)14(20)12-4-6-19(11-12)13-3-2-5-15-16-13/h2-3,5,12H,4,6-11H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 118740209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).