2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide

C12H16BrN5O — CID 115356742

IUPAC2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H16BrN5O/c1-12(2,3)16-10(19)6-14-11-15-9-5-4-8(13)7-18(9)17-11/h4-5,7H,6H2,1-3H3,(H,14,17)(H,16,19)
InChIKeyRPVPGGNAKGFQNZ-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.82
Rot. Bonds3

About 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide

2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide (PubChem CID 115356742) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide
PubChem CID115356742
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H16BrN5O/c1-12(2,3)16-10(19)6-14-11-15-9-5-4-8(13)7-18(9)17-11/h4-5,7H,6H2,1-3H3,(H,14,17)(H,16,19)
InChIKeyRPVPGGNAKGFQNZ-UHFFFAOYSA-N
XLogP1.82
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide (CID 115356742) is 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1nc2ccc(Br)cn2n1.
What is the InChIKey of 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide?
The InChIKey is RPVPGGNAKGFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-12(2,3)16-10(19)6-14-11-15-9-5-4-8(13)7-18(9)17-11/h4-5,7H,6H2,1-3H3,(H,14,17)(H,16,19).
What are the key properties of 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide?
2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide has a molecular weight of 326.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 115356742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).