3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide

C10H9FN4O4 — CID 63578904

IUPAC3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H9FN4O4/c11-6-4-15(10(18)13-8(6)16)3-5-1-2-19-7(5)9(17)14-12/h1-2,4H,3,12H2,(H,14,17)(H,13,16,18)
InChIKeySUHRWJFZWPLUHQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP-1.08
Rot. Bonds3

About 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide

3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63578904) has the molecular formula C10H9FN4O4 and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63578904
Molecular FormulaC10H9FN4O4
Molecular Weight268.20 g/mol
Exact Mass268.06
IUPAC Name3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H9FN4O4/c11-6-4-15(10(18)13-8(6)16)3-5-1-2-19-7(5)9(17)14-12/h1-2,4H,3,12H2,(H,14,17)(H,13,16,18)
InChIKeySUHRWJFZWPLUHQ-UHFFFAOYSA-N
XLogP-1.08
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide (CID 63578904) is 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is SUHRWJFZWPLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4/c11-6-4-15(10(18)13-8(6)16)3-5-1-2-19-7(5)9(17)14-12/h1-2,4H,3,12H2,(H,14,17)(H,13,16,18).
What are the key properties of 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 268.20 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).