hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate

C7H10N4O3 — CID 66338980

IUPAChydrazinyl 3-(6-oxopyridazin-1-yl)propanoate
SMILESNNOC(=O)CCn1ncccc1=O
InChIInChI=1S/C7H10N4O3/c8-10-14-7(13)3-5-11-6(12)2-1-4-9-11/h1-2,4,10H,3,5,8H2
InChIKeyJMWNFWZMUPXNII-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.45
Rot. Bonds4

About hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate

hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate (PubChem CID 66338980) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(6-oxopyridazin-1-yl)propanoate
PubChem CID66338980
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Namehydrazinyl 3-(6-oxopyridazin-1-yl)propanoate
SMILESNNOC(=O)CCn1ncccc1=O
InChIInChI=1S/C7H10N4O3/c8-10-14-7(13)3-5-11-6(12)2-1-4-9-11/h1-2,4,10H,3,5,8H2
InChIKeyJMWNFWZMUPXNII-UHFFFAOYSA-N
XLogP-1.45
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
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-(6-oxopyridazin-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate (CID 66338980) is hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate is NNOC(=O)CCn1ncccc1=O.
What is the InChIKey of hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate?
The InChIKey is JMWNFWZMUPXNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-10-14-7(13)3-5-11-6(12)2-1-4-9-11/h1-2,4,10H,3,5,8H2.
What are the key properties of hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate?
hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate has a molecular weight of 198.18 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 66338980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).