6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C15H13BrN4O — CID 39080194

IUPAC6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1cccc(/C=C\c2nnc3c(N)cc(Br)cn23)c1
InChIInChI=1S/C15H13BrN4O/c1-21-12-4-2-3-10(7-12)5-6-14-18-19-15-13(17)8-11(16)9-20(14)15/h2-9H,17H2,1H3/b6-5-
InChIKeyQOETWKDETAOWSS-WAYWQWQTSA-N
MW345.20 g/mol
LogP3.25
Rot. Bonds3

About 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080194) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080194
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1cccc(/C=C\c2nnc3c(N)cc(Br)cn23)c1
InChIInChI=1S/C15H13BrN4O/c1-21-12-4-2-3-10(7-12)5-6-14-18-19-15-13(17)8-11(16)9-20(14)15/h2-9H,17H2,1H3/b6-5-
InChIKeyQOETWKDETAOWSS-WAYWQWQTSA-N
XLogP3.25
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080190
6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080115
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
CID 175596970
4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole
CID 127042693
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080194) is 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is COc1cccc(/C=C\c2nnc3c(N)cc(Br)cn23)c1.
What is the InChIKey of 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is QOETWKDETAOWSS-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-12-4-2-3-10(7-12)5-6-14-18-19-15-13(17)8-11(16)9-20(14)15/h2-9H,17H2,1H3/b6-5-.
What are the key properties of 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 345.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).