1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine

C11H12BrFN4 — CID 79542917

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN4/c1-2-10-11(14)15-16-17(10)6-7-3-4-8(12)5-9(7)13/h3-5H,2,6,14H2,1H3
InChIKeyVZKCORYWQMWNPQ-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.37
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine

1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79542917) has the molecular formula C11H12BrFN4 and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine
PubChem CID79542917
Molecular FormulaC11H12BrFN4
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN4/c1-2-10-11(14)15-16-17(10)6-7-3-4-8(12)5-9(7)13/h3-5H,2,6,14H2,1H3
InChIKeyVZKCORYWQMWNPQ-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
1-[(4-bromo-2-fluorophenyl)methyl]-3,5-diethylpyrazole-4-carbaldehyde
CID 82696887
1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
CID 79541938
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-bromophenyl)triazole-4-carboxamide
CID 22423829
3,5-dibromo-1-[(4-bromo-2-fluorophenyl)methyl]-1,2,4-triazole
CID 50999593
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-amine
CID 114862366
1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-ethyltriazol-4-amine
CID 79542446
1-[(4-bromo-2-fluorophenyl)methyl]-5-(4-methylphenyl)triazole-4-carboxylic acid
CID 56769183
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79542040
1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777
1-[(4-bromo-2-fluorophenyl)methyl]-5-phenyltriazole-4-carboxylic acid
CID 56768972

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine (CID 79542917) is 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1Cc1ccc(Br)cc1F.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is VZKCORYWQMWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4/c1-2-10-11(14)15-16-17(10)6-7-3-4-8(12)5-9(7)13/h3-5H,2,6,14H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine?
1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 299.15 g/mol, XLogP of 2.37, 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-fluorophenyl)methyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).