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

C7H10N4O4 — CID 66338602

IUPAChydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
SMILESNNOC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N4O4/c8-10-15-7(14)3-4-11-6(13)2-1-5(12)9-11/h1-2,10H,3-4,8H2,(H,9,12)
InChIKeyICPFYOMPEKQMJV-UHFFFAOYSA-N
MW214.18 g/mol
LogP-2.15
Rot. Bonds4

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

hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate (PubChem CID 66338602) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
PubChem CID66338602
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Namehydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
SMILESNNOC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N4O4/c8-10-15-7(14)3-4-11-6(13)2-1-5(12)9-11/h1-2,10H,3-4,8H2,(H,9,12)
InChIKeyICPFYOMPEKQMJV-UHFFFAOYSA-N
XLogP-2.15
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.15
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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Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The IUPAC name of hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate (CID 66338602) is hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate is NNOC(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The InChIKey is ICPFYOMPEKQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c8-10-15-7(14)3-4-11-6(13)2-1-5(12)9-11/h1-2,10H,3-4,8H2,(H,9,12).
What are the key properties of hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate has a molecular weight of 214.18 g/mol, XLogP of -2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate is sourced from PubChem (CID 66338602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).