1-ethyl-5-(4-methoxyphenyl)triazol-4-amine

C11H14N4O — CID 105472459

IUPAC1-ethyl-5-(4-methoxyphenyl)triazol-4-amine
SMILESCCn1nnc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C11H14N4O/c1-3-15-10(11(12)13-14-15)8-4-6-9(16-2)7-5-8/h4-7H,3,12H2,1-2H3
InChIKeyXFVINTDJUGARGB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.56
Rot. Bonds3

About 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine

1-ethyl-5-(4-methoxyphenyl)triazol-4-amine (PubChem CID 105472459) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)triazol-4-amine
PubChem CID105472459
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-ethyl-5-(4-methoxyphenyl)triazol-4-amine
SMILESCCn1nnc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C11H14N4O/c1-3-15-10(11(12)13-14-15)8-4-6-9(16-2)7-5-8/h4-7H,3,12H2,1-2H3
InChIKeyXFVINTDJUGARGB-UHFFFAOYSA-N
XLogP1.56
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(4-methoxyphenyl)pyrazol-4-amine
CID 105471347
1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165474795
1-ethyl-4-isocyano-3-(4-methoxyphenyl)pyrazol-5-amine
CID 158935224
1-ethyl-3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-amine
CID 158695674
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
1-butyl-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82205232
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 83912296
1-heptyl-5-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 82208059
1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 102087796
1-heptyl-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 98824349
1-hexyl-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82205928

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine (CID 105472459) is 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine is CCn1nnc(N)c1-c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is XFVINTDJUGARGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-15-10(11(12)13-14-15)8-4-6-9(16-2)7-5-8/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine?
1-ethyl-5-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 105472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).