5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide

C12H14N4O4 — CID 63578730

IUPAC5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide
SMILESCc1c(C)c(=O)n(Cc2ccc(C(=O)NN)o2)[nH]c1=O
InChIInChI=1S/C12H14N4O4/c1-6-7(2)12(19)16(15-10(6)17)5-8-3-4-9(20-8)11(18)14-13/h3-4H,5,13H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyOQHGKFZTEWUYJD-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.60
Rot. Bonds3

About 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide

5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide (PubChem CID 63578730) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide
PubChem CID63578730
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide
SMILESCc1c(C)c(=O)n(Cc2ccc(C(=O)NN)o2)[nH]c1=O
InChIInChI=1S/C12H14N4O4/c1-6-7(2)12(19)16(15-10(6)17)5-8-3-4-9(20-8)11(18)14-13/h3-4H,5,13H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyOQHGKFZTEWUYJD-UHFFFAOYSA-N
XLogP-0.60
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.60
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 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide (CID 63578730) is 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide is Cc1c(C)c(=O)n(Cc2ccc(C(=O)NN)o2)[nH]c1=O.
What is the InChIKey of 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide?
The InChIKey is OQHGKFZTEWUYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-6-7(2)12(19)16(15-10(6)17)5-8-3-4-9(20-8)11(18)14-13/h3-4H,5,13H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide?
5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide has a molecular weight of 278.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).