8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C10H10BrF3N4 — CID 113327789

IUPAC8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)CCCNc1nc2c(Br)cccn2n1
InChIInChI=1S/C10H10BrF3N4/c11-7-3-1-6-18-8(7)16-9(17-18)15-5-2-4-10(12,13)14/h1,3,6H,2,4-5H2,(H,15,17)
InChIKeyGCPIENSFHNEOBP-UHFFFAOYSA-N
MW323.12 g/mol
LogP3.25
Rot. Bonds4

About 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 113327789) has the molecular formula C10H10BrF3N4 and a molecular weight of 323.12 g/mol. Its IUPAC name is 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID113327789
Molecular FormulaC10H10BrF3N4
Molecular Weight323.12 g/mol
Exact Mass322.00
IUPAC Name8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)CCCNc1nc2c(Br)cccn2n1
InChIInChI=1S/C10H10BrF3N4/c11-7-3-1-6-18-8(7)16-9(17-18)15-5-2-4-10(12,13)14/h1,3,6H,2,4-5H2,(H,15,17)
InChIKeyGCPIENSFHNEOBP-UHFFFAOYSA-N
XLogP3.25
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 113327789) is 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)CCCNc1nc2c(Br)cccn2n1.
What is the InChIKey of 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GCPIENSFHNEOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4/c11-7-3-1-6-18-8(7)16-9(17-18)15-5-2-4-10(12,13)14/h1,3,6H,2,4-5H2,(H,15,17).
What are the key properties of 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 323.12 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 113327789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).