4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

C13H19N5O2 — CID 109109417

IUPAC4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C13H19N5O2/c1-10(2)14-12-4-3-11(15-16-12)13(20)18-7-5-17(9-19)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,14,16)
InChIKeyAOEKQADLRSXVGE-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.21
Rot. Bonds4

About 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109109417) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109109417
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C13H19N5O2/c1-10(2)14-12-4-3-11(15-16-12)13(20)18-7-5-17(9-19)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,14,16)
InChIKeyAOEKQADLRSXVGE-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
4-[6-(2,4,6-trimethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117003
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
1-[4-[6-(1-phenylethylamino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117215
4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116940
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116947
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020

Frequently Asked Questions

What is the IUPAC name of 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109109417) is 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is CC(C)Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is AOEKQADLRSXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-10(2)14-12-4-3-11(15-16-12)13(20)18-7-5-17(9-19)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 277.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109109417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).