(E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C13H15N5O — CID 6858656

IUPAC(E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15N5O/c1-3-13(17-5-7-19-8-6-17)4-2-12(1)9-16-18-10-14-15-11-18/h1-4,9-11H,5-8H2/b16-9+
InChIKeyMAAPFQLDHRYIPB-CXUHLZMHSA-N
MW257.30 g/mol
LogP1.00
Rot. Bonds3

About (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858656) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858656
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15N5O/c1-3-13(17-5-7-19-8-6-17)4-2-12(1)9-16-18-10-14-15-11-18/h1-4,9-11H,5-8H2/b16-9+
InChIKeyMAAPFQLDHRYIPB-CXUHLZMHSA-N
XLogP1.00
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858656) is (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is MAAPFQLDHRYIPB-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-13(17-5-7-19-8-6-17)4-2-12(1)9-16-18-10-14-15-11-18/h1-4,9-11H,5-8H2/b16-9+.
What are the key properties of (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 257.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-morpholin-4-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).