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

C9H11N5O2 — CID 135456310

IUPACN-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(C)nn12
InChIInChI=1S/C9H11N5O2/c1-3-7(15)11-6-4-8(16)12-9-10-5(2)13-14(6)9/h4H,3H2,1-2H3,(H,11,15)(H,10,12,13,16)
InChIKeyTXPDRZIFZWCSMG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.07
Rot. Bonds2

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

N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (PubChem CID 135456310) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
PubChem CID135456310
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(C)nn12
InChIInChI=1S/C9H11N5O2/c1-3-7(15)11-6-4-8(16)12-9-10-5(2)13-14(6)9/h4H,3H2,1-2H3,(H,11,15)(H,10,12,13,16)
InChIKeyTXPDRZIFZWCSMG-UHFFFAOYSA-N
XLogP0.07
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The IUPAC name of N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (CID 135456310) is N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is CCC(=O)Nc1cc(=O)[nH]c2nc(C)nn12.
What is the InChIKey of N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The InChIKey is TXPDRZIFZWCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-3-7(15)11-6-4-8(16)12-9-10-5(2)13-14(6)9/h4H,3H2,1-2H3,(H,11,15)(H,10,12,13,16).
What are the key properties of N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide has a molecular weight of 221.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is sourced from PubChem (CID 135456310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).