4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

C14H21N5O2 — CID 109116972

IUPAC4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)(C)Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)15-12-5-4-11(16-17-12)13(21)19-8-6-18(10-20)7-9-19/h4-5,10H,6-9H2,1-3H3,(H,15,17)
InChIKeyUEXSNKSZTKKVCE-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.60
Rot. Bonds3

About 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109116972) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109116972
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)(C)Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)15-12-5-4-11(16-17-12)13(21)19-8-6-18(10-20)7-9-19/h4-5,10H,6-9H2,1-3H3,(H,15,17)
InChIKeyUEXSNKSZTKKVCE-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.60
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-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
4-[6-(2,4,6-trimethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117003
[6-(tert-butylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121833
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
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
4-[6-(4-tert-butylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345787
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109116972) is 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is CC(C)(C)Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is UEXSNKSZTKKVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)15-12-5-4-11(16-17-12)13(21)19-8-6-18(10-20)7-9-19/h4-5,10H,6-9H2,1-3H3,(H,15,17).
What are the key properties of 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 291.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109116972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).