(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine

C15H14N4O — CID 7638517

IUPAC(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc2ccccc2c1/C=N\n1cnnc1
InChIInChI=1S/C15H14N4O/c1-2-20-15-8-7-12-5-3-4-6-13(12)14(15)9-18-19-10-16-17-11-19/h3-11H,2H2,1H3/b18-9-
InChIKeyHCIZTAGOOLBOGZ-NVMNQCDNSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds4

About (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 7638517) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID7638517
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc2ccccc2c1/C=N\n1cnnc1
InChIInChI=1S/C15H14N4O/c1-2-20-15-8-7-12-5-3-4-6-13(12)14(15)9-18-19-10-16-17-11-19/h3-11H,2H2,1H3/b18-9-
InChIKeyHCIZTAGOOLBOGZ-NVMNQCDNSA-N
XLogP2.71
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
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

(E)-1-[2-(2-chloro-5-fluoropyrimidin-4-yl)oxynaphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 126069827
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
1-anthracen-9-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 760728
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 22771250
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3293662
(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6090043
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858880
(1S,2S,6R,7S,8S,10R)-4-[(2-ethoxynaphthalen-1-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124750040
(1R,2R,6S,7R)-4-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98645373
2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]quinoline
CID 7945989

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 7638517) is (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is CCOc1ccc2ccccc2c1/C=N\n1cnnc1.
What is the InChIKey of (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is HCIZTAGOOLBOGZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-20-15-8-7-12-5-3-4-6-13(12)14(15)9-18-19-10-16-17-11-19/h3-11H,2H2,1H3/b18-9-.
What are the key properties of (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 266.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 7638517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).