(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C20H16N4O — CID 5349906

IUPAC(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16N4O/c1-2-7-20-17(4-1)5-3-6-18(20)13-25-19-10-8-16(9-11-19)12-23-24-14-21-22-15-24/h1-12,14-15H,13H2/b23-12+
InChIKeyYILAOMXYIHGSSQ-FSJBWODESA-N
MW328.38 g/mol
LogP3.89
Rot. Bonds5

About (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5349906) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5349906
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16N4O/c1-2-7-20-17(4-1)5-3-6-18(20)13-25-19-10-8-16(9-11-19)12-23-24-14-21-22-15-24/h1-12,14-15H,13H2/b23-12+
InChIKeyYILAOMXYIHGSSQ-FSJBWODESA-N
XLogP3.89
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.89
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 (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5349906) is (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is YILAOMXYIHGSSQ-FSJBWODESA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-7-20-17(4-1)5-3-6-18(20)13-25-19-10-8-16(9-11-19)12-23-24-14-21-22-15-24/h1-12,14-15H,13H2/b23-12+.
What are the key properties of (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 328.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5349906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).