N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

C15H15N5O2 — CID 930503

IUPACN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C15H15N5O2/c1-2-6-12(21)17-14-18-15-16-11(9-13(22)20(15)19-14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18,19,21)
InChIKeyAVRXQERBSWUQGM-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.82
Rot. Bonds4

About N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (PubChem CID 930503) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
PubChem CID930503
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C15H15N5O2/c1-2-6-12(21)17-14-18-15-16-11(9-13(22)20(15)19-14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18,19,21)
InChIKeyAVRXQERBSWUQGM-UHFFFAOYSA-N
XLogP1.82
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (CID 930503) is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is CCCC(=O)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The InChIKey is AVRXQERBSWUQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-6-12(21)17-14-18-15-16-11(9-13(22)20(15)19-14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18,19,21).
What are the key properties of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide has a molecular weight of 297.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is sourced from PubChem (CID 930503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).