(Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine

C15H10N4O — CID 134066718

IUPAC(Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine
SMILESC(=N\n1cncn1)\c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H10N4O/c1-2-4-14-12(3-1)13-7-11(5-6-15(13)20-14)8-17-19-10-16-9-18-19/h1-10H/b17-8-
InChIKeyXCOKHSCTMJWUFK-IUXPMGMMSA-N
MW262.27 g/mol
LogP3.06
Rot. Bonds2

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

(Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine (PubChem CID 134066718) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine
PubChem CID134066718
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name(Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine
SMILESC(=N\n1cncn1)\c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H10N4O/c1-2-4-14-12(3-1)13-7-11(5-6-15(13)20-14)8-17-19-10-16-9-18-19/h1-10H/b17-8-
InChIKeyXCOKHSCTMJWUFK-IUXPMGMMSA-N
XLogP3.06
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.06
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 (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine?
The IUPAC name of (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine (CID 134066718) is (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine is C(=N\n1cncn1)\c1ccc2oc3ccccc3c2c1.
What is the InChIKey of (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine?
The InChIKey is XCOKHSCTMJWUFK-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H10N4O/c1-2-4-14-12(3-1)13-7-11(5-6-15(13)20-14)8-17-19-10-16-9-18-19/h1-10H/b17-8-.
What are the key properties of (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine?
(Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine has a molecular weight of 262.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-dibenzofuran-2-yl-N-(1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 134066718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).