6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide

C11H13ClN4O3 — CID 166432062

IUPAC6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCO1)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClN4O3/c12-9-5-4-7(13-14-9)10(17)15-16-11(18)8-3-1-2-6-19-8/h4-5,8H,1-3,6H2,(H,15,17)(H,16,18)
InChIKeySGKQYGOFJPGXQH-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.46
Rot. Bonds2

About 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide

6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide (PubChem CID 166432062) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide
PubChem CID166432062
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCO1)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClN4O3/c12-9-5-4-7(13-14-9)10(17)15-16-11(18)8-3-1-2-6-19-8/h4-5,8H,1-3,6H2,(H,15,17)(H,16,18)
InChIKeySGKQYGOFJPGXQH-UHFFFAOYSA-N
XLogP0.46
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
6-chloro-N-(2-methyloxolan-3-yl)pyridazine-3-carboxamide
CID 82726377
2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide
CID 166201928
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
CID 60556519
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide?
The IUPAC name of 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide (CID 166432062) is 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide?
The canonical SMILES for 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide is O=C(NNC(=O)C1CCCCO1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide?
The InChIKey is SGKQYGOFJPGXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c12-9-5-4-7(13-14-9)10(17)15-16-11(18)8-3-1-2-6-19-8/h4-5,8H,1-3,6H2,(H,15,17)(H,16,18).
What are the key properties of 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide?
6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide has a molecular weight of 284.70 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide is sourced from PubChem (CID 166432062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).