N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

C15H17N5O2 — CID 4010387

IUPACN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C15H17N5O2/c1-2-6-12(21)16-14-18-15-17-13(22)9-11(20(15)19-14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H2,16,17,18,19,21,22)
InChIKeyYOJBVSPRALORGJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.95
Rot. Bonds4

About N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (PubChem CID 4010387) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
PubChem CID4010387
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C15H17N5O2/c1-2-6-12(21)16-14-18-15-17-13(22)9-11(20(15)19-14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H2,16,17,18,19,21,22)
InChIKeyYOJBVSPRALORGJ-UHFFFAOYSA-N
XLogP1.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (CID 4010387) is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is CCCC(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2.
What is the InChIKey of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The InChIKey is YOJBVSPRALORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-6-12(21)16-14-18-15-17-13(22)9-11(20(15)19-14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H2,16,17,18,19,21,22).
What are the key properties of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide has a molecular weight of 299.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is sourced from PubChem (CID 4010387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).