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

C12H14N4O3 — CID 63581869

IUPAC3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1ccc(=O)n(Cc2cc(C)c(C(=O)NN)o2)n1
InChIInChI=1S/C12H14N4O3/c1-7-5-9(19-11(7)12(18)14-13)6-16-10(17)4-3-8(2)15-16/h3-5H,6,13H2,1-2H3,(H,14,18)
InChIKeyRWFGYKDOAQBWRI-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.10
Rot. Bonds3

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

3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63581869) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63581869
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1ccc(=O)n(Cc2cc(C)c(C(=O)NN)o2)n1
InChIInChI=1S/C12H14N4O3/c1-7-5-9(19-11(7)12(18)14-13)6-16-10(17)4-3-8(2)15-16/h3-5H,6,13H2,1-2H3,(H,14,18)
InChIKeyRWFGYKDOAQBWRI-UHFFFAOYSA-N
XLogP0.10
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
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-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide (CID 63581869) is 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide is Cc1ccc(=O)n(Cc2cc(C)c(C(=O)NN)o2)n1.
What is the InChIKey of 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is RWFGYKDOAQBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-5-9(19-11(7)12(18)14-13)6-16-10(17)4-3-8(2)15-16/h3-5H,6,13H2,1-2H3,(H,14,18).
What are the key properties of 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide?
3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63581869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).