6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C14H11BrN4 — CID 39080190

IUPAC6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(/C=C/c3ccccc3)nnc12
InChIInChI=1S/C14H11BrN4/c15-11-8-12(16)14-18-17-13(19(14)9-11)7-6-10-4-2-1-3-5-10/h1-9H,16H2/b7-6+
InChIKeyRGEATANCGJKSTD-VOTSOKGWSA-N
MW315.17 g/mol
LogP3.24
Rot. Bonds2

About 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080190) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080190
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(/C=C/c3ccccc3)nnc12
InChIInChI=1S/C14H11BrN4/c15-11-8-12(16)14-18-17-13(19(14)9-11)7-6-10-4-2-1-3-5-10/h1-9H,16H2/b7-6+
InChIKeyRGEATANCGJKSTD-VOTSOKGWSA-N
XLogP3.24
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080115
6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080194
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080197
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
2-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170655
4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
CID 51521223
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080190) is 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Br)cn2c(/C=C/c3ccccc3)nnc12.
What is the InChIKey of 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is RGEATANCGJKSTD-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-8-12(16)14-18-17-13(19(14)9-11)7-6-10-4-2-1-3-5-10/h1-9H,16H2/b7-6+.
What are the key properties of 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 315.17 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).