(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C11H13N5O2 — CID 21381413

IUPAC(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(N2CCOCC2)o1
InChIInChI=1S/C11H13N5O2/c1-2-11(15-3-5-17-6-4-15)18-10(1)7-14-16-8-12-13-9-16/h1-2,7-9H,3-6H2/b14-7-
InChIKeyBSNGPUXBWRMGAV-AUWJEWJLSA-N
MW247.26 g/mol
LogP0.59
Rot. Bonds3

About (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 21381413) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID21381413
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(N2CCOCC2)o1
InChIInChI=1S/C11H13N5O2/c1-2-11(15-3-5-17-6-4-15)18-10(1)7-14-16-8-12-13-9-16/h1-2,7-9H,3-6H2/b14-7-
InChIKeyBSNGPUXBWRMGAV-AUWJEWJLSA-N
XLogP0.59
TPSA68.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126017936
(E)-1-(4-pyrrolidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6859857
(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5395923
3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
CID 1278423
N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126015628
N-(5-chloro-2-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126025583
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 126021608
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137050469
(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484970
2-methoxy-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126015567
5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126027637

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 21381413) is (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N\n1cnnc1)\c1ccc(N2CCOCC2)o1.
What is the InChIKey of (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is BSNGPUXBWRMGAV-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-11(15-3-5-17-6-4-15)18-10(1)7-14-16-8-12-13-9-16/h1-2,7-9H,3-6H2/b14-7-.
What are the key properties of (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 247.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 21381413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).