(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C11H11ClN4O — CID 6090043

IUPAC(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc(Cl)cc1/C=N\n1cnnc1
InChIInChI=1S/C11H11ClN4O/c1-2-17-11-4-3-10(12)5-9(11)6-15-16-7-13-14-8-16/h3-8H,2H2,1H3/b15-6-
InChIKeyTWSWPCAVBQEGFI-UUASQNMZSA-N
MW250.69 g/mol
LogP2.21
Rot. Bonds4

About (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6090043) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6090043
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc(Cl)cc1/C=N\n1cnnc1
InChIInChI=1S/C11H11ClN4O/c1-2-17-11-4-3-10(12)5-9(11)6-15-16-7-13-14-8-16/h3-8H,2H2,1H3/b15-6-
InChIKeyTWSWPCAVBQEGFI-UUASQNMZSA-N
XLogP2.21
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.21
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-[5-chloro-2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5344950
(E)-1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858864
1-[5-chloro-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2241166
1-[5-chloro-2-[2-(3-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2270840
(Z)-1-(3-chloro-4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6282745
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine
CID 18530084
N-[(5-chloro-2-ethoxyphenyl)methylideneamino]-4-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-1,2,4-triazol-3-amine
CID 21214273
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858880
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7728533
(E)-1-[3,5-dichloro-2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6897946
(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 7638517
2-chloro-6-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135457674

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6090043) is (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is CCOc1ccc(Cl)cc1/C=N\n1cnnc1.
What is the InChIKey of (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is TWSWPCAVBQEGFI-UUASQNMZSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-2-17-11-4-3-10(12)5-9(11)6-15-16-7-13-14-8-16/h3-8H,2H2,1H3/b15-6-.
What are the key properties of (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 250.69 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-chloro-2-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).