1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine

C14H19BrN6 — CID 102799637

IUPAC1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2n[nH]c(-c3cncc(Br)c3)n2)C1
InChIInChI=1S/C14H19BrN6/c1-16-6-10-3-2-4-21(9-10)14-18-13(19-20-14)11-5-12(15)8-17-7-11/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,18,19,20)
InChIKeyGSFKJXLALUMKTC-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine

1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 102799637) has the molecular formula C14H19BrN6 and a molecular weight of 351.25 g/mol. Its IUPAC name is 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
PubChem CID102799637
Molecular FormulaC14H19BrN6
Molecular Weight351.25 g/mol
Exact Mass350.09
IUPAC Name1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2n[nH]c(-c3cncc(Br)c3)n2)C1
InChIInChI=1S/C14H19BrN6/c1-16-6-10-3-2-4-21(9-10)14-18-13(19-20-14)11-5-12(15)8-17-7-11/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,18,19,20)
InChIKeyGSFKJXLALUMKTC-UHFFFAOYSA-N
XLogP2.07
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
1-[1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799712
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 103510849
[1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799821
N-methyl-1-[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799653
[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800011
1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675
N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799695
N-methyl-1-[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799633
1-[1-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799650
N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800138

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine (CID 102799637) is 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(c2n[nH]c(-c3cncc(Br)c3)n2)C1.
What is the InChIKey of 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is GSFKJXLALUMKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6/c1-16-6-10-3-2-4-21(9-10)14-18-13(19-20-14)11-5-12(15)8-17-7-11/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,18,19,20).
What are the key properties of 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 351.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102799637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).