1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine

C13H15BrN4 — CID 81290698

IUPAC1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine
SMILESCCc1cc(Br)ccc1-n1nnc(N)c1C1CC1
InChIInChI=1S/C13H15BrN4/c1-2-8-7-10(14)5-6-11(8)18-12(9-3-4-9)13(15)16-17-18/h5-7,9H,2-4,15H2,1H3
InChIKeyFSMWNTADUWGGCL-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine

1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine (PubChem CID 81290698) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine
PubChem CID81290698
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine
SMILESCCc1cc(Br)ccc1-n1nnc(N)c1C1CC1
InChIInChI=1S/C13H15BrN4/c1-2-8-7-10(14)5-6-11(8)18-12(9-3-4-9)13(15)16-17-18/h5-7,9H,2-4,15H2,1H3
InChIKeyFSMWNTADUWGGCL-UHFFFAOYSA-N
XLogP3.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-2-ethylphenyl)-3-chloro-5-cyclopropyl-1,2,4-triazole
CID 81288635
5-cyclopropyl-1-(4-fluoro-2-iodophenyl)triazol-4-amine
CID 79771811
(1S,2R,6R,7S)-4-(4-bromo-2-ethylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98257633
N-[[3-(4-bromo-2-ethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451798
1-(4-bromo-2-ethylphenyl)-3-methylpiperazine-2,5-dione
CID 81290854
1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione
CID 81289584
1-(4-bromo-2-ethylphenyl)benzotriazole-4-carboxylic acid
CID 115541988
5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 82195145
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
CID 79501505
5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
CID 105485940
(3aR,7aR)-2-(4-bromo-2-ethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 887941
3-(4-bromo-2-ethylphenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 81290029

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine (CID 81290698) is 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine is CCc1cc(Br)ccc1-n1nnc(N)c1C1CC1.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine?
The InChIKey is FSMWNTADUWGGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-8-7-10(14)5-6-11(8)18-12(9-3-4-9)13(15)16-17-18/h5-7,9H,2-4,15H2,1H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine?
1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine has a molecular weight of 307.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 81290698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).