7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide

C6H6N6O2 — CID 134130613

IUPAC7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide
SMILESNNC(=O)c1n[nH]c(=O)c2[nH]ncc12
InChIInChI=1S/C6H6N6O2/c7-9-5(13)3-2-1-8-10-4(2)6(14)12-11-3/h1H,7H2,(H,8,10)(H,9,13)(H,12,14)
InChIKeyLFXSADKWZWJJOP-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.75
Rot. Bonds1

About 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide

7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide (PubChem CID 134130613) has the molecular formula C6H6N6O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide.

Molecular Properties

Compound Name7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide
PubChem CID134130613
Molecular FormulaC6H6N6O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide
SMILESNNC(=O)c1n[nH]c(=O)c2[nH]ncc12
InChIInChI=1S/C6H6N6O2/c7-9-5(13)3-2-1-8-10-4(2)6(14)12-11-3/h1H,7H2,(H,8,10)(H,9,13)(H,12,14)
InChIKeyLFXSADKWZWJJOP-UHFFFAOYSA-N
XLogP-1.75
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2H,6H,7H-pyrazolo(3,4-d)pyridazin-7-one
CID 15451646
4-methyl-1H-pyrazole-3-carbohydrazide
CID 13405304
4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 142495222
Methylpyrazole-3-carbohydrazide monohydrate
CID 129731148
4-ethyl-N-(1-piperidinyl)-1h-pyrazole-3-carboxamide
CID 129735863
4-ethyl-1H-pyrazole-5-carboxamide
CID 91280769
4-(cyanomethyl)-1H-pyrazole-5-carboxamide
CID 121297539
1,6-Dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one
CID 123432520
4,7-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 129160899
4-propan-2-yl-1H-pyrazole-5-carboxamide
CID 134298075
4-propyl-1H-pyrazole-5-carboxamide
CID 144339449
4-(3-nitroprop-2-ynyl)-1H-pyrazole-5-carboxamide
CID 155251149

Frequently Asked Questions

What is the IUPAC name of 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The IUPAC name of 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide (CID 134130613) is 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide.
What is the SMILES notation for 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The canonical SMILES for 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide is NNC(=O)c1n[nH]c(=O)c2[nH]ncc12.
What is the InChIKey of 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The InChIKey is LFXSADKWZWJJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O2/c7-9-5(13)3-2-1-8-10-4(2)6(14)12-11-3/h1H,7H2,(H,8,10)(H,9,13)(H,12,14).
What are the key properties of 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide?
7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide has a molecular weight of 194.15 g/mol, XLogP of -1.75, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carbohydrazide is sourced from PubChem (CID 134130613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).