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

C11H15N5O2 — CID 7342966

IUPACN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)CC)nc2n1
InChIInChI=1S/C11H15N5O2/c1-3-5-7-6-9(18)16-11(12-7)14-10(15-16)13-8(17)4-2/h6H,3-5H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyVICISMFTIXCSDJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds4

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

N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 7342966) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID7342966
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)CC)nc2n1
InChIInChI=1S/C11H15N5O2/c1-3-5-7-6-9(18)16-11(12-7)14-10(15-16)13-8(17)4-2/h6H,3-5H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyVICISMFTIXCSDJ-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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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 7342966) is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is CCCc1cc(=O)n2[nH]c(NC(=O)CC)nc2n1.
What is the InChIKey of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is VICISMFTIXCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-5-7-6-9(18)16-11(12-7)14-10(15-16)13-8(17)4-2/h6H,3-5H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-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-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 7342966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).