5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide

C11H14N4O3 — CID 80582837

IUPAC5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1ccn(C)c1=O
InChIInChI=1S/C11H14N4O3/c1-7-8(5-9(18-7)10(16)13-12)6-15-4-3-14(2)11(15)17/h3-5H,6,12H2,1-2H3,(H,13,16)
InChIKeyLUSIDKHOQKKCTF-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.26
Rot. Bonds3

About 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide

5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 80582837) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID80582837
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1ccn(C)c1=O
InChIInChI=1S/C11H14N4O3/c1-7-8(5-9(18-7)10(16)13-12)6-15-4-3-14(2)11(15)17/h3-5H,6,12H2,1-2H3,(H,13,16)
InChIKeyLUSIDKHOQKKCTF-UHFFFAOYSA-N
XLogP-0.26
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.26
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 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide (CID 80582837) is 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1Cn1ccn(C)c1=O.
What is the InChIKey of 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is LUSIDKHOQKKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-8(5-9(18-7)10(16)13-12)6-15-4-3-14(2)11(15)17/h3-5H,6,12H2,1-2H3,(H,13,16).
What are the key properties of 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 250.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 80582837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).