1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C7H6N4O — CID 761214

IUPAC1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=Nn1cnnc1)c1ccco1
InChIInChI=1S/C7H6N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H
InChIKeyULWDENLECZLBSK-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.75
Rot. Bonds2

About 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 761214) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID761214
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=Nn1cnnc1)c1ccco1
InChIInChI=1S/C7H6N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H
InChIKeyULWDENLECZLBSK-UHFFFAOYSA-N
XLogP0.75
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 761214) is 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is C(=Nn1cnnc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is ULWDENLECZLBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H.
What are the key properties of 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 162.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 761214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).