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

C12H16BrN5O — CID 106851444

IUPAC1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(-c3ccoc3Br)n2)CC1N
InChIInChI=1S/C12H16BrN5O/c1-7-2-4-18(6-9(7)14)12-15-11(16-17-12)8-3-5-19-10(8)13/h3,5,7,9H,2,4,6,14H2,1H3,(H,15,16,17)
InChIKeyGRROISDAUMSTDS-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.00
Rot. Bonds2

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

1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine (PubChem CID 106851444) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
PubChem CID106851444
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(-c3ccoc3Br)n2)CC1N
InChIInChI=1S/C12H16BrN5O/c1-7-2-4-18(6-9(7)14)12-15-11(16-17-12)8-3-5-19-10(8)13/h3,5,7,9H,2,4,6,14H2,1H3,(H,15,16,17)
InChIKeyGRROISDAUMSTDS-UHFFFAOYSA-N
XLogP2.00
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798910
1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798868
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136751524
1-[5-(3-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 107998481
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830
4-methyl-1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107971931
4-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799092
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799886
4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799068
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine (CID 106851444) is 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine is CC1CCN(c2n[nH]c(-c3ccoc3Br)n2)CC1N.
What is the InChIKey of 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine?
The InChIKey is GRROISDAUMSTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-7-2-4-18(6-9(7)14)12-15-11(16-17-12)8-3-5-19-10(8)13/h3,5,7,9H,2,4,6,14H2,1H3,(H,15,16,17).
What are the key properties of 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine?
1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine has a molecular weight of 326.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 106851444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).