hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate

C8H12N4O4 — CID 66339527

IUPAChydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate
SMILESCn1ccc(=O)n(CCC(=O)ONN)c1=O
InChIInChI=1S/C8H12N4O4/c1-11-4-2-6(13)12(8(11)15)5-3-7(14)16-10-9/h2,4,10H,3,5,9H2,1H3
InChIKeyAKWSASLAUPQUHM-UHFFFAOYSA-N
MW228.21 g/mol
LogP-2.14
Rot. Bonds4

About hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate

hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate (PubChem CID 66339527) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate
PubChem CID66339527
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Namehydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate
SMILESCn1ccc(=O)n(CCC(=O)ONN)c1=O
InChIInChI=1S/C8H12N4O4/c1-11-4-2-6(13)12(8(11)15)5-3-7(14)16-10-9/h2,4,10H,3,5,9H2,1H3
InChIKeyAKWSASLAUPQUHM-UHFFFAOYSA-N
XLogP-2.14
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methyl-2,6-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate (CID 66339527) is hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate is Cn1ccc(=O)n(CCC(=O)ONN)c1=O.
What is the InChIKey of hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate?
The InChIKey is AKWSASLAUPQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-11-4-2-6(13)12(8(11)15)5-3-7(14)16-10-9/h2,4,10H,3,5,9H2,1H3.
What are the key properties of hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate?
hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate has a molecular weight of 228.21 g/mol, XLogP of -2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 66339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).