7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C16H11BrN4O2 — CID 18313614

IUPAC7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(Oc2ccc(Br)cc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H11BrN4O2/c17-10-3-5-11(6-4-10)23-12-8-14(18)21-15(9-12)19-16(20-21)13-2-1-7-22-13/h1-9H,18H2
InChIKeyUHPYIUZAJPOQNT-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.13
Rot. Bonds3

About 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313614) has the molecular formula C16H11BrN4O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313614
Molecular FormulaC16H11BrN4O2
Molecular Weight371.19 g/mol
Exact Mass370.01
IUPAC Name7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(Oc2ccc(Br)cc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H11BrN4O2/c17-10-3-5-11(6-4-10)23-12-8-14(18)21-15(9-12)19-16(20-21)13-2-1-7-22-13/h1-9H,18H2
InChIKeyUHPYIUZAJPOQNT-UHFFFAOYSA-N
XLogP4.13
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002346
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
2-(furan-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 141034768
2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18313693
2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzaldehyde
CID 86603876
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10149872
5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 15729956
6-bromo-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 87492476
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115004120
2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002481
N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-(4-nitrophenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002462
4-(furan-2-yl)-11-methyl-3,5,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 57402117

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313614) is 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cc(Oc2ccc(Br)cc2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is UHPYIUZAJPOQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O2/c17-10-3-5-11(6-4-10)23-12-8-14(18)21-15(9-12)19-16(20-21)13-2-1-7-22-13/h1-9H,18H2.
What are the key properties of 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 371.19 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).