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

C11H15N5O2 — CID 135520836

IUPACN-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCCc1nc2[nH]c(=O)cc(NC(=O)CC)n2n1
InChIInChI=1S/C11H15N5O2/c1-3-5-7-12-11-14-10(18)6-8(16(11)15-7)13-9(17)4-2/h6H,3-5H2,1-2H3,(H,13,17)(H,12,14,15,18)
InChIKeyLWIOZWRJEXZFPR-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds4

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

N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (PubChem CID 135520836) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.

Molecular Properties

Compound NameN-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
PubChem CID135520836
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCCc1nc2[nH]c(=O)cc(NC(=O)CC)n2n1
InChIInChI=1S/C11H15N5O2/c1-3-5-7-12-11-14-10(18)6-8(16(11)15-7)13-9(17)4-2/h6H,3-5H2,1-2H3,(H,13,17)(H,12,14,15,18)
InChIKeyLWIOZWRJEXZFPR-UHFFFAOYSA-N
XLogP0.72
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520813
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
CID 135465198
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide
CID 135472131
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 136701520
7-amino-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137167951
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 135472235
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
CID 135532049
N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
CID 135532027
4-chloro-N-[5-oxo-2-(phenoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135472180
3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520809
2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004085

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The IUPAC name of N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (CID 135520836) is N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.
What is the SMILES notation for N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The canonical SMILES for N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is CCCc1nc2[nH]c(=O)cc(NC(=O)CC)n2n1.
What is the InChIKey of N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The InChIKey is LWIOZWRJEXZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-5-7-12-11-14-10(18)6-8(16(11)15-7)13-9(17)4-2/h6H,3-5H2,1-2H3,(H,13,17)(H,12,14,15,18).
What are the key properties of N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is sourced from PubChem (CID 135520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).