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

C17H19N5O2 — CID 135472252

IUPACN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C17H19N5O2/c1-2-3-9-15(23)19-14-11-16(24)20-17-18-13(21-22(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,19,23)(H,18,20,21,24)
InChIKeyUZGRBABKHMQFEF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.14
Rot. Bonds6

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

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide (PubChem CID 135472252) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide
PubChem CID135472252
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C17H19N5O2/c1-2-3-9-15(23)19-14-11-16(24)20-17-18-13(21-22(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,19,23)(H,18,20,21,24)
InChIKeyUZGRBABKHMQFEF-UHFFFAOYSA-N
XLogP2.14
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide?
The IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide (CID 135472252) is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide.
What is the SMILES notation for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide?
The canonical SMILES for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide is CCCCC(=O)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12.
What is the InChIKey of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide?
The InChIKey is UZGRBABKHMQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-3-9-15(23)19-14-11-16(24)20-17-18-13(21-22(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,19,23)(H,18,20,21,24).
What are the key properties of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide?
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide has a molecular weight of 325.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide is sourced from PubChem (CID 135472252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).