[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine

C17H18N4O — CID 82198492

IUPAC[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18N4O/c1-2-17-16(12-18)19-20-21(17)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-11H,2,12,18H2,1H3
InChIKeyWPCYXIPGOBVNDE-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.08
Rot. Bonds5

About [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine

[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine (PubChem CID 82198492) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
PubChem CID82198492
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18N4O/c1-2-17-16(12-18)19-20-21(17)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-11H,2,12,18H2,1H3
InChIKeyWPCYXIPGOBVNDE-UHFFFAOYSA-N
XLogP3.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[5-(3-phenoxypropyl)-1-phenyltriazol-4-yl]methanamine
CID 94939895
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
methyl 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzoate
CID 82200585
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
5-(methoxymethyl)-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 53366312
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine (CID 82198492) is [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine is CCc1c(CN)nnn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is WPCYXIPGOBVNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-17-16(12-18)19-20-21(17)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-11H,2,12,18H2,1H3.
What are the key properties of [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine?
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 294.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).