4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide

C8H11FN4O3 — CID 63578905

IUPAC4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN4O3/c9-5-4-13(8(16)11-7(5)15)3-1-2-6(14)12-10/h4H,1-3,10H2,(H,12,14)(H,11,15,16)
InChIKeyACJJQPNBYAOZEP-UHFFFAOYSA-N
MW230.20 g/mol
LogP-1.55
Rot. Bonds4

About 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide

4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide (PubChem CID 63578905) has the molecular formula C8H11FN4O3 and a molecular weight of 230.20 g/mol. Its IUPAC name is 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide
PubChem CID63578905
Molecular FormulaC8H11FN4O3
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN4O3/c9-5-4-13(8(16)11-7(5)15)3-1-2-6(14)12-10/h4H,1-3,10H2,(H,12,14)(H,11,15,16)
InChIKeyACJJQPNBYAOZEP-UHFFFAOYSA-N
XLogP-1.55
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-1.55
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 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide (CID 63578905) is 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide is NNC(=O)CCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide?
The InChIKey is ACJJQPNBYAOZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O3/c9-5-4-13(8(16)11-7(5)15)3-1-2-6(14)12-10/h4H,1-3,10H2,(H,12,14)(H,11,15,16).
What are the key properties of 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide?
4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide has a molecular weight of 230.20 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 63578905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).