[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine

C9H12N4O — CID 105264528

IUPAC[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cncc1C(NN)c1ccco1
InChIInChI=1S/C9H12N4O/c1-13-6-11-5-7(13)9(12-10)8-3-2-4-14-8/h2-6,9,12H,10H2,1H3
InChIKeyPHXZFEXMIJMZRD-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.57
Rot. Bonds3

About [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine

[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 105264528) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine
PubChem CID105264528
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cncc1C(NN)c1ccco1
InChIInChI=1S/C9H12N4O/c1-13-6-11-5-7(13)9(12-10)8-3-2-4-14-8/h2-6,9,12H,10H2,1H3
InChIKeyPHXZFEXMIJMZRD-UHFFFAOYSA-N
XLogP0.57
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine (CID 105264528) is [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine is Cn1cncc1C(NN)c1ccco1.
What is the InChIKey of [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is PHXZFEXMIJMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13-6-11-5-7(13)9(12-10)8-3-2-4-14-8/h2-6,9,12H,10H2,1H3.
What are the key properties of [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine?
[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 192.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105264528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).