6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H13BrN4 — CID 106231512

IUPAC6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CC(CCC)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H13BrN4/c1-3-5-10(4-2)14-12-15-11-7-6-9(13)8-17(11)16-12/h2,6-8,10H,3,5H2,1H3,(H,14,16)
InChIKeyXXPSYNOFMAUSLS-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.71
Rot. Bonds4

About 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106231512) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106231512
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CC(CCC)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H13BrN4/c1-3-5-10(4-2)14-12-15-11-7-6-9(13)8-17(11)16-12/h2,6-8,10H,3,5H2,1H3,(H,14,16)
InChIKeyXXPSYNOFMAUSLS-UHFFFAOYSA-N
XLogP2.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113499143
7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106231156
3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156336
6-bromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106232839
6-fluoro-N-octan-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026408
4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol
CID 81130480
3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231623
6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 103007609
3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]butan-1-ol
CID 83187344
6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114504757
3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol
CID 114189657
5-bromo-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 103578187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106231512) is 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C#CC(CCC)Nc1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XXPSYNOFMAUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-3-5-10(4-2)14-12-15-11-7-6-9(13)8-17(11)16-12/h2,6-8,10H,3,5H2,1H3,(H,14,16).
What are the key properties of 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 293.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106231512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).