[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine

C13H15ClN4 — CID 82207512

IUPAC[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4/c1-2-18-13(12(9-15)16-17-18)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9,15H2,1H3/b8-5+
InChIKeyFUWCAHVCXUFMAE-VMPITWQZSA-N
MW262.74 g/mol
LogP2.58
Rot. Bonds4

About [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine

[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine (PubChem CID 82207512) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
PubChem CID82207512
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4/c1-2-18-13(12(9-15)16-17-18)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9,15H2,1H3/b8-5+
InChIKeyFUWCAHVCXUFMAE-VMPITWQZSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962604
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204774
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
CID 82199235
[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
CID 82206285
[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine
CID 105498551
1-butyl-5-[(E)-2-(4-chlorophenyl)ethenyl]triazole-4-carboxylic acid
CID 94943933
ethyl 1-benzyl-5-[(E)-2-(4-chlorophenyl)ethenyl]triazole-4-carboxylate
CID 164668332
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
[5-tert-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203357
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
[1-ethyl-5-(2,3,4-trifluorophenyl)triazol-4-yl]methanamine
CID 82207516

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine?
The IUPAC name of [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine (CID 82207512) is [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine is CCn1nnc(CN)c1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine?
The InChIKey is FUWCAHVCXUFMAE-VMPITWQZSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-18-13(12(9-15)16-17-18)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9,15H2,1H3/b8-5+.
What are the key properties of [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine?
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).