8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C15H16BrN5O2 — CID 10110171

IUPAC8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-4-5-12(16)23-11/h4-5,7-8H,3,6,17H2,1-2H3
InChIKeyCRJKDPUUJDEQAN-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.82
Rot. Bonds4

About 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 10110171) has the molecular formula C15H16BrN5O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID10110171
Molecular FormulaC15H16BrN5O2
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-4-5-12(16)23-11/h4-5,7-8H,3,6,17H2,1-2H3
InChIKeyCRJKDPUUJDEQAN-UHFFFAOYSA-N
XLogP2.82
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 10110171) is 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1.
What is the InChIKey of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is CRJKDPUUJDEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-4-5-12(16)23-11/h4-5,7-8H,3,6,17H2,1-2H3.
What are the key properties of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 10110171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).