[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C16H22N6O2 — CID 122335476

IUPAC[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccno3)CC2)nn1
InChIInChI=1S/C16H22N6O2/c1-3-20(4-2)14-5-6-15(19-18-14)21-9-11-22(12-10-21)16(23)13-7-8-17-24-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDYDRLVBYURWBQC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.27
Rot. Bonds5

About [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 122335476) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID122335476
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccno3)CC2)nn1
InChIInChI=1S/C16H22N6O2/c1-3-20(4-2)14-5-6-15(19-18-14)21-9-11-22(12-10-21)16(23)13-7-8-17-24-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDYDRLVBYURWBQC-UHFFFAOYSA-N
XLogP1.27
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122339198
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122335628
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335601
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(difluoromethylsulfonyl)phenyl]methanone
CID 122335549
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 121053866
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421

Frequently Asked Questions

What is the IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 122335476) is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3ccno3)CC2)nn1.
What is the InChIKey of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is DYDRLVBYURWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-20(4-2)14-5-6-15(19-18-14)21-9-11-22(12-10-21)16(23)13-7-8-17-24-13/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 122335476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).