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

C15H14N4O2 — CID 6858676

IUPAC(E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc2ccc(OC)c(/C=N/n3cnnc3)c2c1
InChIInChI=1S/C15H14N4O2/c1-20-12-5-3-11-4-6-15(21-2)14(13(11)7-12)8-18-19-9-16-17-10-19/h3-10H,1-2H3/b18-8+
InChIKeyWZEKFMKQSSBZTQ-QGMBQPNBSA-N
MW282.30 g/mol
LogP2.33
Rot. Bonds4

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

(E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858676) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858676
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc2ccc(OC)c(/C=N/n3cnnc3)c2c1
InChIInChI=1S/C15H14N4O2/c1-20-12-5-3-11-4-6-15(21-2)14(13(11)7-12)8-18-19-9-16-17-10-19/h3-10H,1-2H3/b18-8+
InChIKeyWZEKFMKQSSBZTQ-QGMBQPNBSA-N
XLogP2.33
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.33
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

1-((4H-1,2,4-Triazol-4-ylimino)methyl)-2-naphthol
CID 135449594
N-[4-(1-naphthylmethoxy)benzylidene]-4H-1,2,4-triazol-4-amine
CID 5349906
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-[(2,7-diethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858395
N-[(2-methoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858491
N-[(E)-(2,4-dimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5331185
N-[(2-ethoxy-1-naphthyl)methylene]-1H-1,2,4-triazol-1-amine
CID 9555275
N-[(E)-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}methylidene]-1H-1,2,4-triazol-1-amine
CID 6858979
1-(1,2,4-Triazol-4-yliminomethyl)naphthalen-2-ol
CID 581889
1-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-ol
CID 135873463
N-{(E)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5349937

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858676) is (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc2ccc(OC)c(/C=N/n3cnnc3)c2c1.
What is the InChIKey of (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is WZEKFMKQSSBZTQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-12-5-3-11-4-6-15(21-2)14(13(11)7-12)8-18-19-9-16-17-10-19/h3-10H,1-2H3/b18-8+.
What are the key properties of (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 282.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,7-dimethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).