1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

C11H14BrN5S — CID 114021099

IUPAC1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESNC1CCN(c2n[nH]c(-c3csc(Br)c3)n2)CC1
InChIInChI=1S/C11H14BrN5S/c12-9-5-7(6-18-9)10-14-11(16-15-10)17-3-1-8(13)2-4-17/h5-6,8H,1-4,13H2,(H,14,15,16)
InChIKeyMEDRSDSKFJKKHR-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.22
Rot. Bonds2

About 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 114021099) has the molecular formula C11H14BrN5S and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID114021099
Molecular FormulaC11H14BrN5S
Molecular Weight328.24 g/mol
Exact Mass327.02
IUPAC Name1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESNC1CCN(c2n[nH]c(-c3csc(Br)c3)n2)CC1
InChIInChI=1S/C11H14BrN5S/c12-9-5-7(6-18-9)10-14-11(16-15-10)17-3-1-8(13)2-4-17/h5-6,8H,1-4,13H2,(H,14,15,16)
InChIKeyMEDRSDSKFJKKHR-UHFFFAOYSA-N
XLogP2.22
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine with MolForge

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Related Compounds

N-[[1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 107960297
1-[5-(3-bromo-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 107950153
4-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]benzene-1,2-diol
CID 136904589
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793980
1-[5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 107960280
5-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 136758281
1-[5-(3-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793279
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
1-[5-(3-methoxy-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793856
[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800773

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (CID 114021099) is 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is NC1CCN(c2n[nH]c(-c3csc(Br)c3)n2)CC1.
What is the InChIKey of 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is MEDRSDSKFJKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5S/c12-9-5-7(6-18-9)10-14-11(16-15-10)17-3-1-8(13)2-4-17/h5-6,8H,1-4,13H2,(H,14,15,16).
What are the key properties of 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 328.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 114021099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).