4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one

C11H11N7O — CID 10611150

IUPAC4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1ccc(-n2nnc3c(NN)n[nH]c(=O)c32)cc1
InChIInChI=1S/C11H11N7O/c1-6-2-4-7(5-3-6)18-9-8(14-17-18)10(13-12)15-16-11(9)19/h2-5H,12H2,1H3,(H,13,15)(H,16,19)
InChIKeyRGEDNWOMBHVKGK-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.10
Rot. Bonds2

About 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one

4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 10611150) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID10611150
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1ccc(-n2nnc3c(NN)n[nH]c(=O)c32)cc1
InChIInChI=1S/C11H11N7O/c1-6-2-4-7(5-3-6)18-9-8(14-17-18)10(13-12)15-16-11(9)19/h2-5H,12H2,1H3,(H,13,15)(H,16,19)
InChIKeyRGEDNWOMBHVKGK-UHFFFAOYSA-N
XLogP0.10
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.10
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

4-chloro-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10753912
4-(4,7-dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)benzoic acid
CID 135420612
2-[5-amino-1-(4-methylphenyl)triazol-4-yl]-3H-quinazolin-4-one
CID 155816979
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
CID 82370698
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
5-methyl-1-(4-methylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]triazole-4-carboxamide;hydrate
CID 139052371
5-amino-3-(4-chlorophenyl)-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135400697
5-(2-hydroxyethyl)-2-(4-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999531
sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide
CID 54608700
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
methyl 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate
CID 43955252

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one (CID 10611150) is 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one is Cc1ccc(-n2nnc3c(NN)n[nH]c(=O)c32)cc1.
What is the InChIKey of 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is RGEDNWOMBHVKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-6-2-4-7(5-3-6)18-9-8(14-17-18)10(13-12)15-16-11(9)19/h2-5H,12H2,1H3,(H,13,15)(H,16,19).
What are the key properties of 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one?
4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 257.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 10611150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).