1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine

C12H16N4O — CID 79508943

IUPAC1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine
SMILESCCOc1cccc(-n2nnc(N)c2CC)c1
InChIInChI=1S/C12H16N4O/c1-3-11-12(13)14-15-16(11)9-6-5-7-10(8-9)17-4-2/h5-8H,3-4,13H2,1-2H3
InChIKeyBHFHLHJXYUTNCL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.81
Rot. Bonds4

About 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine

1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine (PubChem CID 79508943) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine
PubChem CID79508943
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine
SMILESCCOc1cccc(-n2nnc(N)c2CC)c1
InChIInChI=1S/C12H16N4O/c1-3-11-12(13)14-15-16(11)9-6-5-7-10(8-9)17-4-2/h5-8H,3-4,13H2,1-2H3
InChIKeyBHFHLHJXYUTNCL-UHFFFAOYSA-N
XLogP1.81
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-5-ethyltriazol-1-yl)phenol
CID 105456139
1-(3,4-difluorophenyl)-5-ethyltriazol-4-amine
CID 79501177
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
CID 58011098
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
3-(3-ethoxyphenyl)triazole-4-carboxylic acid
CID 54967751
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
1-(3-chloro-2-fluorophenyl)-5-ethyltriazol-4-amine
CID 79502999
4-(bromomethyl)-1-(3-ethoxyphenyl)triazole
CID 62399472
1-[2-(3-chlorophenoxy)ethyl]-5-propyltriazol-4-amine
CID 79542672
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701
1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine
CID 79507425

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine (CID 79508943) is 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine is CCOc1cccc(-n2nnc(N)c2CC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine?
The InChIKey is BHFHLHJXYUTNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-11-12(13)14-15-16(11)9-6-5-7-10(8-9)17-4-2/h5-8H,3-4,13H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine?
1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine is sourced from PubChem (CID 79508943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).