5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine

C9H15BrN4O — CID 165480189

IUPAC5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(CCOC2CCCC2)n1
InChIInChI=1S/C9H15BrN4O/c10-8-12-9(11)13-14(8)5-6-15-7-3-1-2-4-7/h7H,1-6H2,(H2,11,13)
InChIKeyQBKFUMQFKCAPLF-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.58
Rot. Bonds4

About 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine

5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine (PubChem CID 165480189) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
PubChem CID165480189
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(CCOC2CCCC2)n1
InChIInChI=1S/C9H15BrN4O/c10-8-12-9(11)13-14(8)5-6-15-7-3-1-2-4-7/h7H,1-6H2,(H2,11,13)
InChIKeyQBKFUMQFKCAPLF-UHFFFAOYSA-N
XLogP1.58
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(2-propoxyethyl)-1,2,4-triazol-3-amine
CID 106452735
5-bromo-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098728
1-(2-cyclopentyloxyethyl)-5-methylpyrazol-4-amine
CID 165480190
5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
CID 130789722
4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine
CID 165481302
5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine
CID 103098470
1-(2-cyclobutyloxyethyl)pyrazol-4-amine
CID 62137723
iodo 4-amino-5-carbamoyl-1-(2-cyclobutyloxyethyl)pyrazole-3-carboxylate
CID 163986191
2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
CID 63827400
(1R)-1-[3-(2-cyclopentyloxyethyl)imidazol-4-yl]ethanamine
CID 104943161
6-bromo-2-N-(2-cyclopentyloxyethyl)pyrimidine-2,4-diamine
CID 116795940
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine (CID 165480189) is 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine is Nc1nc(Br)n(CCOC2CCCC2)n1.
What is the InChIKey of 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine?
The InChIKey is QBKFUMQFKCAPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c10-8-12-9(11)13-14(8)5-6-15-7-3-1-2-4-7/h7H,1-6H2,(H2,11,13).
What are the key properties of 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine?
5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine has a molecular weight of 275.15 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 165480189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).