4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde

C11H14N4O2 — CID 110705200

IUPAC4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
SMILESCc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C11H14N4O2/c1-9-2-3-10(13-12-9)11(17)15-6-4-14(8-16)5-7-15/h2-3,8H,4-7H2,1H3
InChIKeyCQMMPBJNVGLWIJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.30
Rot. Bonds2

About 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde

4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110705200) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
PubChem CID110705200
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
SMILESCc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C11H14N4O2/c1-9-2-3-10(13-12-9)11(17)15-6-4-14(8-16)5-7-15/h2-3,8H,4-7H2,1H3
InChIKeyCQMMPBJNVGLWIJ-UHFFFAOYSA-N
XLogP-0.30
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
4-[6-(2,4,6-trimethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117003
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116999
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116940

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde (CID 110705200) is 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde is Cc1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is CQMMPBJNVGLWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9-2-3-10(13-12-9)11(17)15-6-4-14(8-16)5-7-15/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde?
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 234.26 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110705200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).