(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C12H19N5O3 — CID 82691902

IUPAC(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNNc1ccc(C(=O)N2CCC(OCCO)CC2)nn1
InChIInChI=1S/C12H19N5O3/c13-14-11-2-1-10(15-16-11)12(19)17-5-3-9(4-6-17)20-8-7-18/h1-2,9,18H,3-8,13H2,(H,14,16)
InChIKeyRHXVPJXIKRCDDT-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.62
Rot. Bonds5

About (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82691902) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82691902
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNNc1ccc(C(=O)N2CCC(OCCO)CC2)nn1
InChIInChI=1S/C12H19N5O3/c13-14-11-2-1-10(15-16-11)12(19)17-5-3-9(4-6-17)20-8-7-18/h1-2,9,18H,3-8,13H2,(H,14,16)
InChIKeyRHXVPJXIKRCDDT-UHFFFAOYSA-N
XLogP-0.62
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
N-(2-cyclopentyloxyethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63832738
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064
(2-hydrazinyl-4-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82684955
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 82691427
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 63161790
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-hydrazinylpyridazin-3-yl)methanone
CID 104960538

Frequently Asked Questions

What is the IUPAC name of (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82691902) is (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NNc1ccc(C(=O)N2CCC(OCCO)CC2)nn1.
What is the InChIKey of (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is RHXVPJXIKRCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-14-11-2-1-10(15-16-11)12(19)17-5-3-9(4-6-17)20-8-7-18/h1-2,9,18H,3-8,13H2,(H,14,16).
What are the key properties of (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 281.32 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82691902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).