1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide

C9H11N7O3 — CID 63573939

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCn2[nH]c(=O)ccc2=O)nn1
InChIInChI=1S/C9H11N7O3/c10-11-9(19)6-5-15(14-12-6)3-4-16-8(18)2-1-7(17)13-16/h1-2,5H,3-4,10H2,(H,11,19)(H,13,17)
InChIKeyWRYMBCQLOJIBRL-UHFFFAOYSA-N
MW265.23 g/mol
LogP-2.57
Rot. Bonds4

About 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 63573939) has the molecular formula C9H11N7O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide
PubChem CID63573939
Molecular FormulaC9H11N7O3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCn2[nH]c(=O)ccc2=O)nn1
InChIInChI=1S/C9H11N7O3/c10-11-9(19)6-5-15(14-12-6)3-4-16-8(18)2-1-7(17)13-16/h1-2,5H,3-4,10H2,(H,11,19)(H,13,17)
InChIKeyWRYMBCQLOJIBRL-UHFFFAOYSA-N
XLogP-2.57
TPSA140.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-2.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide (CID 63573939) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCn2[nH]c(=O)ccc2=O)nn1.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is WRYMBCQLOJIBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O3/c10-11-9(19)6-5-15(14-12-6)3-4-16-8(18)2-1-7(17)13-16/h1-2,5H,3-4,10H2,(H,11,19)(H,13,17).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 265.23 g/mol, XLogP of -2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63573939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).