(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C13H21N5O — CID 103502396

IUPAC(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccc(NN)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-9(2)10-5-7-18(8-6-10)13(19)11-3-4-12(15-14)17-16-11/h3-4,9-10H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyIUCUFJWSPMGGRA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.27
Rot. Bonds3

About (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103502396) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103502396
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccc(NN)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-9(2)10-5-7-18(8-6-10)13(19)11-3-4-12(15-14)17-16-11/h3-4,9-10H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyIUCUFJWSPMGGRA-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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

(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 63161790
(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82691902
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-hydrazinylpyridazin-3-yl)methanone
CID 104960538
(2-ethylmorpholin-4-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 62243410
(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199262
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
4-(6-hydrazinylpyridazine-3-carbonyl)piperazine-2,6-dione
CID 66062825
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348

Frequently Asked Questions

What is the IUPAC name of (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103502396) is (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccc(NN)nn2)CC1.
What is the InChIKey of (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is IUCUFJWSPMGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)10-5-7-18(8-6-10)13(19)11-3-4-12(15-14)17-16-11/h3-4,9-10H,5-8,14H2,1-2H3,(H,15,17).
What are the key properties of (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103502396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).