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

C14H13N5O2 — CID 614817

IUPACN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N5O2/c1-2-11(20)16-13-17-14-15-10(8-12(21)19(14)18-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,16,17,18,20)
InChIKeyUJOWJIHNPRUIPS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.43
Rot. Bonds3

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

N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 614817) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID614817
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N5O2/c1-2-11(20)16-13-17-14-15-10(8-12(21)19(14)18-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,16,17,18,20)
InChIKeyUJOWJIHNPRUIPS-UHFFFAOYSA-N
XLogP1.43
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.43
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)propanamide?
The IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 614817) is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is CCC(=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)propanamide?
The InChIKey is UJOWJIHNPRUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-11(20)16-13-17-14-15-10(8-12(21)19(14)18-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,16,17,18,20).
What are the key properties of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.43, 3 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)propanamide is sourced from PubChem (CID 614817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).