1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C16H25N5O2 — CID 121053646

IUPAC1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(NCC3CCCO3)nn2)CC1
InChIInChI=1S/C16H25N5O2/c1-2-16(22)21-9-7-20(8-10-21)15-6-5-14(18-19-15)17-12-13-4-3-11-23-13/h5-6,13H,2-4,7-12H2,1H3,(H,17,18)
InChIKeyDMMBQWRDOZXYEP-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.13
Rot. Bonds5

About 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 121053646) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID121053646
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(NCC3CCCO3)nn2)CC1
InChIInChI=1S/C16H25N5O2/c1-2-16(22)21-9-7-20(8-10-21)15-6-5-14(18-19-15)17-12-13-4-3-11-23-13/h5-6,13H,2-4,7-12H2,1H3,(H,17,18)
InChIKeyDMMBQWRDOZXYEP-UHFFFAOYSA-N
XLogP1.13
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053660
(2-iodophenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053676
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114845
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
1-[4-[4-fluoro-2-nitro-5-(oxolan-2-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one
CID 5294973
1-[4-[4-fluoro-2-nitro-5-[[(2S)-oxolan-2-yl]methylamino]phenyl]piperazin-1-yl]propan-1-one
CID 7298301
1-[4-[4-fluoro-2-nitro-5-[[(2R)-oxolan-2-yl]methylamino]phenyl]piperazin-1-yl]propan-1-one
CID 7298302
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 121054039
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
3-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122350846

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 121053646) is 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(NCC3CCCO3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is DMMBQWRDOZXYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-16(22)21-9-7-20(8-10-21)15-6-5-14(18-19-15)17-12-13-4-3-11-23-13/h5-6,13H,2-4,7-12H2,1H3,(H,17,18).
What are the key properties of 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 319.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121053646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).