5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide

C11H12N4O4 — CID 63812365

IUPAC5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCn1ccc(=O)n(Cc2cc(C(=O)NN)co2)c1=O
InChIInChI=1S/C11H12N4O4/c1-14-3-2-9(16)15(11(14)18)5-8-4-7(6-19-8)10(17)13-12/h2-4,6H,5,12H2,1H3,(H,13,17)
InChIKeyQXSMPRJJQJWZIZ-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.21
Rot. Bonds3

About 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide

5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63812365) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63812365
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCn1ccc(=O)n(Cc2cc(C(=O)NN)co2)c1=O
InChIInChI=1S/C11H12N4O4/c1-14-3-2-9(16)15(11(14)18)5-8-4-7(6-19-8)10(17)13-12/h2-4,6H,5,12H2,1H3,(H,13,17)
InChIKeyQXSMPRJJQJWZIZ-UHFFFAOYSA-N
XLogP-1.21
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63812522
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 63579417
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
CID 79886873
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103428139
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (CID 63812365) is 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is Cn1ccc(=O)n(Cc2cc(C(=O)NN)co2)c1=O.
What is the InChIKey of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is QXSMPRJJQJWZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-14-3-2-9(16)15(11(14)18)5-8-4-7(6-19-8)10(17)13-12/h2-4,6H,5,12H2,1H3,(H,13,17).
What are the key properties of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 264.24 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63812365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).