5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C13H12ClN5O2 — CID 23552511

IUPAC5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCN(C)C(=O)c1cc(N)n2nc(-c3ccc(Cl)o3)nc2c1
InChIInChI=1S/C13H12ClN5O2/c1-18(2)13(20)7-5-10(15)19-11(6-7)16-12(17-19)8-3-4-9(14)21-8/h3-6H,15H2,1-2H3
InChIKeyQJDLBLYTGMGJTC-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.93
Rot. Bonds2

About 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552511) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552511
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCN(C)C(=O)c1cc(N)n2nc(-c3ccc(Cl)o3)nc2c1
InChIInChI=1S/C13H12ClN5O2/c1-18(2)13(20)7-5-10(15)19-11(6-7)16-12(17-19)8-3-4-9(14)21-8/h3-6H,15H2,1-2H3
InChIKeyQJDLBLYTGMGJTC-UHFFFAOYSA-N
XLogP1.93
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552511) is 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CN(C)C(=O)c1cc(N)n2nc(-c3ccc(Cl)o3)nc2c1.
What is the InChIKey of 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is QJDLBLYTGMGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-18(2)13(20)7-5-10(15)19-11(6-7)16-12(17-19)8-3-4-9(14)21-8/h3-6H,15H2,1-2H3.
What are the key properties of 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 305.73 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).