N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

C13H13N5O3 — CID 6485810

IUPACN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)c3ccco3)nc2n1
InChIInChI=1S/C13H13N5O3/c1-2-4-8-7-10(19)18-13(14-8)16-12(17-18)15-11(20)9-5-3-6-21-9/h3,5-7H,2,4H2,1H3,(H2,14,15,16,17,20)
InChIKeyHJFGWWGAPRZYCY-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.22
Rot. Bonds4

About N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (PubChem CID 6485810) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
PubChem CID6485810
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)c3ccco3)nc2n1
InChIInChI=1S/C13H13N5O3/c1-2-4-8-7-10(19)18-13(14-8)16-12(17-18)15-11(20)9-5-3-6-21-9/h3,5-7H,2,4H2,1H3,(H2,14,15,16,17,20)
InChIKeyHJFGWWGAPRZYCY-UHFFFAOYSA-N
XLogP1.22
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (CID 6485810) is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is CCCc1cc(=O)n2[nH]c(NC(=O)c3ccco3)nc2n1.
What is the InChIKey of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is HJFGWWGAPRZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-2-4-8-7-10(19)18-13(14-8)16-12(17-18)15-11(20)9-5-3-6-21-9/h3,5-7H,2,4H2,1H3,(H2,14,15,16,17,20).
What are the key properties of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 6485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).