2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide

C7H10N4O3 — CID 63572992

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
SMILESCC(C(=O)NN)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N4O3/c1-4(7(14)9-8)11-6(13)3-2-5(12)10-11/h2-4H,8H2,1H3,(H,9,14)(H,10,12)
InChIKeyXAHHEWMLZMTUOK-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.91
Rot. Bonds2

About 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide

2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide (PubChem CID 63572992) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
PubChem CID63572992
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
SMILESCC(C(=O)NN)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N4O3/c1-4(7(14)9-8)11-6(13)3-2-5(12)10-11/h2-4H,8H2,1H3,(H,9,14)(H,10,12)
InChIKeyXAHHEWMLZMTUOK-UHFFFAOYSA-N
XLogP-1.91
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide (CID 63572992) is 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide is CC(C(=O)NN)n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The InChIKey is XAHHEWMLZMTUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-4(7(14)9-8)11-6(13)3-2-5(12)10-11/h2-4H,8H2,1H3,(H,9,14)(H,10,12).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide has a molecular weight of 198.18 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide is sourced from PubChem (CID 63572992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).