(E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine

C17H18N4O2 — CID 6858395

IUPAC(E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc2ccc(OCC)c(/C=N/n3cnnc3)c2c1
InChIInChI=1S/C17H18N4O2/c1-3-22-14-7-5-13-6-8-17(23-4-2)16(15(13)9-14)10-20-21-11-18-19-12-21/h5-12H,3-4H2,1-2H3/b20-10+
InChIKeyDQYGJJBNOAKIHK-KEBDBYFISA-N
MW310.36 g/mol
LogP3.11
Rot. Bonds6

About (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858395) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858395
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc2ccc(OCC)c(/C=N/n3cnnc3)c2c1
InChIInChI=1S/C17H18N4O2/c1-3-22-14-7-5-13-6-8-17(23-4-2)16(15(13)9-14)10-20-21-11-18-19-12-21/h5-12H,3-4H2,1-2H3/b20-10+
InChIKeyDQYGJJBNOAKIHK-KEBDBYFISA-N
XLogP3.11
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{(E)-[3-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5343621
N-[(2,7-dimethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858676
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
N-[4-(1-naphthylmethoxy)benzylidene]-4H-1,2,4-triazol-4-amine
CID 5349906
N-[(E)-(3-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5350331
(E)-1-[3-[2-(3-Methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6897840
N-[(E)-(2-propoxynaphthalen-1-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6898263
(E)-(8-methoxy-1-naphthyl)methylene-(1,2,4-triazol-4-yl)amine
CID 6898996
N-[(2-methoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858491
N-{(E)-[4-(benzyloxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5334893
(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6860749
N-{(E)-[2-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6894661

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858395) is (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is CCOc1ccc2ccc(OCC)c(/C=N/n3cnnc3)c2c1.
What is the InChIKey of (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is DQYGJJBNOAKIHK-KEBDBYFISA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-22-14-7-5-13-6-8-17(23-4-2)16(15(13)9-14)10-20-21-11-18-19-12-21/h5-12H,3-4H2,1-2H3/b20-10+.
What are the key properties of (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 310.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).