3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H11BrN4 — CID 39080157

IUPAC3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(Cc3ccccc3)nnc12
InChIInChI=1S/C13H11BrN4/c14-10-7-11(15)13-17-16-12(18(13)8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6,15H2
InChIKeyGHCNNODYLDDCDQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.66
Rot. Bonds2

About 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080157) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080157
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(Cc3ccccc3)nnc12
InChIInChI=1S/C13H11BrN4/c14-10-7-11(15)13-17-16-12(18(13)8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6,15H2
InChIKeyGHCNNODYLDDCDQ-UHFFFAOYSA-N
XLogP2.66
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080190
6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080073
2-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170655
9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 90666160
4-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 65349371
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
3-[(4-fluorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82058990
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
3-amino-1-benzyl-5-bromopyridin-2-one
CID 90251201
6-bromo-3-[(Z)-2-(3-methoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080194
2-benzyl-6,8-dibromo-5-methylimidazo[1,2-a]pyridin-3-amine
CID 141154155

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080157) is 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Br)cn2c(Cc3ccccc3)nnc12.
What is the InChIKey of 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is GHCNNODYLDDCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-10-7-11(15)13-17-16-12(18(13)8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6,15H2.
What are the key properties of 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 303.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).