5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide

C14H13BrN4O2 — CID 87054153

IUPAC5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide
SMILESCC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
InChIInChI=1S/C14H13BrN4O2/c1-8(2)12-17-13-9(4-3-7-19(13)18-12)16-14(20)10-5-6-11(15)21-10/h3-8H,1-2H3,(H,16,20)
InChIKeyAMMMOHVZFYGIAN-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide

5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide (PubChem CID 87054153) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide
PubChem CID87054153
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide
SMILESCC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1
InChIInChI=1S/C14H13BrN4O2/c1-8(2)12-17-13-9(4-3-7-19(13)18-12)16-14(20)10-5-6-11(15)21-10/h3-8H,1-2H3,(H,16,20)
InChIKeyAMMMOHVZFYGIAN-UHFFFAOYSA-N
XLogP3.46
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide (CID 87054153) is 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide is CC(C)c1nc2c(NC(=O)c3ccc(Br)o3)cccn2n1.
What is the InChIKey of 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide?
The InChIKey is AMMMOHVZFYGIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-8(2)12-17-13-9(4-3-7-19(13)18-12)16-14(20)10-5-6-11(15)21-10/h3-8H,1-2H3,(H,16,20).
What are the key properties of 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide?
5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)furan-2-carboxamide is sourced from PubChem (CID 87054153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).