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

C16H16N4O — CID 6898263

IUPAC(E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCCOc1ccc2ccccc2c1/C=N/n1cnnc1
InChIInChI=1S/C16H16N4O/c1-2-9-21-16-8-7-13-5-3-4-6-14(13)15(16)10-19-20-11-17-18-12-20/h3-8,10-12H,2,9H2,1H3/b19-10+
InChIKeyHFIPIWBZGAOEIU-VXLYETTFSA-N
MW280.33 g/mol
LogP3.10
Rot. Bonds5

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

(E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6898263) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6898263
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCCOc1ccc2ccccc2c1/C=N/n1cnnc1
InChIInChI=1S/C16H16N4O/c1-2-9-21-16-8-7-13-5-3-4-6-14(13)15(16)10-19-20-11-17-18-12-20/h3-8,10-12H,2,9H2,1H3/b19-10+
InChIKeyHFIPIWBZGAOEIU-VXLYETTFSA-N
XLogP3.10
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-((4H-1,2,4-Triazol-4-ylimino)methyl)-2-naphthol
CID 135449594
N-[(2,7-dimethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858676
N-{(E)-[3-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5343621
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349808
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
N-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-4H-1,2,4-triazol-4-amine
CID 6858398
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858836
(E)-(8-methoxy-1-naphthyl)methylene-(1,2,4-triazol-4-yl)amine
CID 6898996
N-[(2,7-diethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858395

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6898263) is (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is CCCOc1ccc2ccccc2c1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is HFIPIWBZGAOEIU-VXLYETTFSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-9-21-16-8-7-13-5-3-4-6-14(13)15(16)10-19-20-11-17-18-12-20/h3-8,10-12H,2,9H2,1H3/b19-10+.
What are the key properties of (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 280.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-propoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6898263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).