8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H15BrN6 — CID 115990428

IUPAC8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCc1nn(C)cc1CNc1nc2c(Br)cccn2n1
InChIInChI=1S/C13H15BrN6/c1-3-11-9(8-19(2)17-11)7-15-13-16-12-10(14)5-4-6-20(12)18-13/h4-6,8H,3,7H2,1-2H3,(H,15,18)
InChIKeyPMJPDZJIQMMQCL-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.40
Rot. Bonds4

About 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 115990428) has the molecular formula C13H15BrN6 and a molecular weight of 335.21 g/mol. Its IUPAC name is 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID115990428
Molecular FormulaC13H15BrN6
Molecular Weight335.21 g/mol
Exact Mass334.05
IUPAC Name8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCc1nn(C)cc1CNc1nc2c(Br)cccn2n1
InChIInChI=1S/C13H15BrN6/c1-3-11-9(8-19(2)17-11)7-15-13-16-12-10(14)5-4-6-20(12)18-13/h4-6,8H,3,7H2,1-2H3,(H,15,18)
InChIKeyPMJPDZJIQMMQCL-UHFFFAOYSA-N
XLogP2.40
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 115990428) is 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCc1nn(C)cc1CNc1nc2c(Br)cccn2n1.
What is the InChIKey of 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PMJPDZJIQMMQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN6/c1-3-11-9(8-19(2)17-11)7-15-13-16-12-10(14)5-4-6-20(12)18-13/h4-6,8H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 335.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 115990428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).