N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide

C13H10N6O3 — CID 4702675

IUPACN'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1ccc2nncn2n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N6O3/c20-13(8-1-2-9-10(5-8)22-7-21-9)17-15-11-3-4-12-16-14-6-19(12)18-11/h1-6H,7H2,(H,15,18)(H,17,20)
InChIKeyZWCFRRSWMRFQHK-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.61
Rot. Bonds3

About N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide

N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 4702675) has the molecular formula C13H10N6O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID4702675
Molecular FormulaC13H10N6O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC NameN'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1ccc2nncn2n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N6O3/c20-13(8-1-2-9-10(5-8)22-7-21-9)17-15-11-3-4-12-16-14-6-19(12)18-11/h1-6H,7H2,(H,15,18)(H,17,20)
InChIKeyZWCFRRSWMRFQHK-UHFFFAOYSA-N
XLogP0.61
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
CID 123140654
N'-(2,3-dihydrothiophen-4-yl)-1,3-benzodioxole-5-carbohydrazide
CID 2368011
N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
CID 17473757
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
N'-(1,3-benzodioxole-5-carbonyl)-2-oxochromene-3-carbohydrazide
CID 4686766
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113051566
N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273977
N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 8890859

Frequently Asked Questions

What is the IUPAC name of N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide (CID 4702675) is N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide is O=C(NNc1ccc2nncn2n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is ZWCFRRSWMRFQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O3/c20-13(8-1-2-9-10(5-8)22-7-21-9)17-15-11-3-4-12-16-14-6-19(12)18-11/h1-6H,7H2,(H,15,18)(H,17,20).
What are the key properties of N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide?
N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 298.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 4702675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).