[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C16H26N6O2 — CID 91627626

IUPAC[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)CC1
InChIInChI=1S/C16H26N6O2/c1-19(2)14-4-5-15(18-17-14)24-13-6-7-22(12-13)16(23)21-10-8-20(3)9-11-21/h4-5,13H,6-12H2,1-3H3
InChIKeyUVUQXBACWFHCHS-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.36
Rot. Bonds3

About [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 91627626) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID91627626
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)CC1
InChIInChI=1S/C16H26N6O2/c1-19(2)14-4-5-15(18-17-14)24-13-6-7-22(12-13)16(23)21-10-8-20(3)9-11-21/h4-5,13H,6-12H2,1-3H3
InChIKeyUVUQXBACWFHCHS-UHFFFAOYSA-N
XLogP0.36
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100637128
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547

Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 91627626) is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)CC1.
What is the InChIKey of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UVUQXBACWFHCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-19(2)14-4-5-15(18-17-14)24-13-6-7-22(12-13)16(23)21-10-8-20(3)9-11-21/h4-5,13H,6-12H2,1-3H3.
What are the key properties of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 91627626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).