1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine

C10H12BrN5 — CID 105359542

IUPAC1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cncc(Br)c2)n1
InChIInChI=1S/C10H12BrN5/c1-7(12)10-14-6-16(15-10)5-8-2-9(11)4-13-3-8/h2-4,6-7H,5,12H2,1H3
InChIKeyHLCJRHSVCRWNEA-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.50
Rot. Bonds3

About 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine

1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359542) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359542
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cncc(Br)c2)n1
InChIInChI=1S/C10H12BrN5/c1-7(12)10-14-6-16(15-10)5-8-2-9(11)4-13-3-8/h2-4,6-7H,5,12H2,1H3
InChIKeyHLCJRHSVCRWNEA-UHFFFAOYSA-N
XLogP1.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359722
1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazole-3-carbonitrile
CID 39535735
1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]ethanamine
CID 104801318
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 102881131
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
CID 104810230
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104811698
N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
CID 104810232

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine (CID 105359542) is 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(Cc2cncc(Br)c2)n1.
What is the InChIKey of 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is HLCJRHSVCRWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-7(12)10-14-6-16(15-10)5-8-2-9(11)4-13-3-8/h2-4,6-7H,5,12H2,1H3.
What are the key properties of 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 282.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).