8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H15Br3F4N12 — CID 159393255

IUPAC8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Br)c2nc(N)nn2c1.Nc1nc2c(Br)cc(C(F)(F)F)cn2n1.Nc1nc2c(Br)cc(F)cn2n1
InChIInChI=1S/C7H4BrF3N4.C7H7BrN4.C6H4BrFN4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15;1-4-2-5(8)6-10-7(9)11-12(6)3-4;7-4-1-3(8)2-12-5(4)10-6(9)11-12/h1-2H,(H2,12,14);2-3H,1H3,(H2,9,11);1-2H,(H2,9,11)
InChIKeyLMJVHUOKDYKZEP-UHFFFAOYSA-N
MW739.13 g/mol
LogP4.69
Rot. Bonds

About 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 159393255) has the molecular formula C20H15Br3F4N12 and a molecular weight of 739.13 g/mol. Its IUPAC name is 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID159393255
Molecular FormulaC20H15Br3F4N12
Molecular Weight739.13 g/mol
Exact Mass735.90
IUPAC Name8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Br)c2nc(N)nn2c1.Nc1nc2c(Br)cc(C(F)(F)F)cn2n1.Nc1nc2c(Br)cc(F)cn2n1
InChIInChI=1S/C7H4BrF3N4.C7H7BrN4.C6H4BrFN4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15;1-4-2-5(8)6-10-7(9)11-12(6)3-4;7-4-1-3(8)2-12-5(4)10-6(9)11-12/h1-2H,(H2,12,14);2-3H,1H3,(H2,9,11);1-2H,(H2,9,11)
InChIKeyLMJVHUOKDYKZEP-UHFFFAOYSA-N
XLogP4.69
TPSA168.63 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.13
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 159393255) is 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(Br)c2nc(N)nn2c1.Nc1nc2c(Br)cc(C(F)(F)F)cn2n1.Nc1nc2c(Br)cc(F)cn2n1.
What is the InChIKey of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LMJVHUOKDYKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N4.C7H7BrN4.C6H4BrFN4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15;1-4-2-5(8)6-10-7(9)11-12(6)3-4;7-4-1-3(8)2-12-5(4)10-6(9)11-12/h1-2H,(H2,12,14);2-3H,1H3,(H2,9,11);1-2H,(H2,9,11).
What are the key properties of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 739.13 g/mol, XLogP of 4.69, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 159393255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).