(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone

C13H21N5O — CID 63161790

IUPAC(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2ccc(NN)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-3-13(2)6-8-18(9-7-13)12(19)10-4-5-11(15-14)17-16-10/h4-5H,3,6-9,14H2,1-2H3,(H,15,17)
InChIKeyBTTXONRUJYWBQG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds3

About (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone

(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone (PubChem CID 63161790) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
PubChem CID63161790
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2ccc(NN)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-3-13(2)6-8-18(9-7-13)12(19)10-4-5-11(15-14)17-16-10/h4-5H,3,6-9,14H2,1-2H3,(H,15,17)
InChIKeyBTTXONRUJYWBQG-UHFFFAOYSA-N
XLogP1.41
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-ethyl-4-methylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436346
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
(2-ethylmorpholin-4-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 62243410
4-(6-hydrazinylpyridazine-3-carbonyl)piperazine-2,6-dione
CID 66062825
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 113229540
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-hydrazinylpyridazin-3-yl)methanone
CID 104960538
(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82691902
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161789
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
(6-hydrazinylpyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62233763

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone?
The IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone (CID 63161790) is (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone.
What is the SMILES notation for (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone?
The canonical SMILES for (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone is CCC1(C)CCN(C(=O)c2ccc(NN)nn2)CC1.
What is the InChIKey of (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone?
The InChIKey is BTTXONRUJYWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-13(2)6-8-18(9-7-13)12(19)10-4-5-11(15-14)17-16-10/h4-5H,3,6-9,14H2,1-2H3,(H,15,17).
What are the key properties of (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone?
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone is sourced from PubChem (CID 63161790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).