2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine

C11H14BrN5 — CID 104810232

IUPAC2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2cncc(Br)c2)nn1
InChIInChI=1S/C11H14BrN5/c1-11(2,13)10-7-17(16-15-10)6-8-3-9(12)5-14-4-8/h3-5,7H,6,13H2,1-2H3
InChIKeyMANSBDKDNJUCQI-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.68
Rot. Bonds3

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

2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine (PubChem CID 104810232) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
PubChem CID104810232
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2cncc(Br)c2)nn1
InChIInChI=1S/C11H14BrN5/c1-11(2,13)10-7-17(16-15-10)6-8-3-9(12)5-14-4-8/h3-5,7H,6,13H2,1-2H3
InChIKeyMANSBDKDNJUCQI-UHFFFAOYSA-N
XLogP1.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
CID 104810230
N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
CID 63998552
3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
CID 115641056
4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 107345465
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
2-(1-pentyltriazol-4-yl)propan-2-amine
CID 63998354
1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359542
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589548

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine (CID 104810232) is 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(Cc2cncc(Br)c2)nn1.
What is the InChIKey of 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine?
The InChIKey is MANSBDKDNJUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-11(2,13)10-7-17(16-15-10)6-8-3-9(12)5-14-4-8/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine?
2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine has a molecular weight of 296.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 104810232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).