1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

C14H17BrFN5 — CID 102798626

IUPAC1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C14H17BrFN5/c1-8-12(17)3-2-6-21(8)14-18-13(19-20-14)10-5-4-9(15)7-11(10)16/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,18,19,20)
InChIKeyYIHXTNZRFLXTGI-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.69
Rot. Bonds2

About 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (PubChem CID 102798626) has the molecular formula C14H17BrFN5 and a molecular weight of 354.23 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
PubChem CID102798626
Molecular FormulaC14H17BrFN5
Molecular Weight354.23 g/mol
Exact Mass353.07
IUPAC Name1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C14H17BrFN5/c1-8-12(17)3-2-6-21(8)14-18-13(19-20-14)10-5-4-9(15)7-11(10)16/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,18,19,20)
InChIKeyYIHXTNZRFLXTGI-UHFFFAOYSA-N
XLogP2.69
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798583
1-[5-(2-bromo-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798552
1-[5-(3-bromo-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798795
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798910
1-[5-(3-bromo-4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798661
1-[5-(4-bromo-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798815
1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798548
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798744
1-[5-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102801454
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798801
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102810405
1-[5-(3-chloro-4-iodophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 103219891

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (CID 102798626) is 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The canonical SMILES for 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is CC1C(N)CCCN1c1n[nH]c(-c2ccc(Br)cc2F)n1.
What is the InChIKey of 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The InChIKey is YIHXTNZRFLXTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN5/c1-8-12(17)3-2-6-21(8)14-18-13(19-20-14)10-5-4-9(15)7-11(10)16/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,18,19,20).
What are the key properties of 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine has a molecular weight of 354.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is sourced from PubChem (CID 102798626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).