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

C10H13N5O2 — CID 930740

IUPACN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C10H13N5O2/c1-3-4-7(16)12-9-13-10-11-6(2)5-8(17)15(10)14-9/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyBLYXJMDPYJSSMO-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.46
Rot. Bonds3

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

N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (PubChem CID 930740) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
PubChem CID930740
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C10H13N5O2/c1-3-4-7(16)12-9-13-10-11-6(2)5-8(17)15(10)14-9/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyBLYXJMDPYJSSMO-UHFFFAOYSA-N
XLogP0.46
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The IUPAC name of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (CID 930740) is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is CCCC(=O)Nc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The InChIKey is BLYXJMDPYJSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-4-7(16)12-9-13-10-11-6(2)5-8(17)15(10)14-9/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16).
What are the key properties of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide has a molecular weight of 235.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is sourced from PubChem (CID 930740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).