2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine

C7H10N4O — CID 71670100

IUPAC2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
SMILESCc1ccc(/C=N\N=C(N)N)o1
InChIInChI=1S/C7H10N4O/c1-5-2-3-6(12-5)4-10-11-7(8)9/h2-4H,1H3,(H4,8,9,11)/b10-4-
InChIKeyIHRREXPYQTZNED-WMZJFQQLSA-N
MW166.18 g/mol
LogP0.20
Rot. Bonds2

About 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine

2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine (PubChem CID 71670100) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
PubChem CID71670100
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
SMILESCc1ccc(/C=N\N=C(N)N)o1
InChIInChI=1S/C7H10N4O/c1-5-2-3-6(12-5)4-10-11-7(8)9/h2-4H,1H3,(H4,8,9,11)/b10-4-
InChIKeyIHRREXPYQTZNED-WMZJFQQLSA-N
XLogP0.20
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine (CID 71670100) is 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine is Cc1ccc(/C=N\N=C(N)N)o1.
What is the InChIKey of 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine?
The InChIKey is IHRREXPYQTZNED-WMZJFQQLSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-2-3-6(12-5)4-10-11-7(8)9/h2-4H,1H3,(H4,8,9,11)/b10-4-.
What are the key properties of 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine?
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine has a molecular weight of 166.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine is sourced from PubChem (CID 71670100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).