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

C14H12N4O — CID 6858491

IUPAC(E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/n1cnnc1
InChIInChI=1S/C14H12N4O/c1-19-14-7-6-11-4-2-3-5-12(11)13(14)8-17-18-9-15-16-10-18/h2-10H,1H3/b17-8+
InChIKeyICFJUQDDZCSZKJ-CAOOACKPSA-N
MW252.28 g/mol
LogP2.32
Rot. Bonds3

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

(E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858491) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858491
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name(E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/n1cnnc1
InChIInChI=1S/C14H12N4O/c1-19-14-7-6-11-4-2-3-5-12(11)13(14)8-17-18-9-15-16-10-18/h2-10H,1H3/b17-8+
InChIKeyICFJUQDDZCSZKJ-CAOOACKPSA-N
XLogP2.32
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.32
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-[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-[(E)-(2-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5337603
N-[(2,7-diethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858395
N-[(E)-(3-phenoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858991
N-[(2-ethoxy-1-naphthyl)methylene]-1H-1,2,4-triazol-1-amine
CID 9555275
N-[(E)-(4-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858566
N-[(E)-(3-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858479
1-[(E)-(1H-1,2,4-Triazol-3-ylimino)methyl]-2-naphthol
CID 135580901

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858491) is (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc2ccccc2c1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is ICFJUQDDZCSZKJ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-14-7-6-11-4-2-3-5-12(11)13(14)8-17-18-9-15-16-10-18/h2-10H,1H3/b17-8+.
What are the key properties of (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 252.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).