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

C15H15N5O3 — CID 23607376

IUPACN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)C(C)Oc3ccccc3)nc2n1
InChIInChI=1S/C15H15N5O3/c1-9-8-12(21)20-15(16-9)18-14(19-20)17-13(22)10(2)23-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H2,16,17,18,19,22)
InChIKeyOIHFNQJBVGYISR-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.13
Rot. Bonds4

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

N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide (PubChem CID 23607376) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
PubChem CID23607376
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)C(C)Oc3ccccc3)nc2n1
InChIInChI=1S/C15H15N5O3/c1-9-8-12(21)20-15(16-9)18-14(19-20)17-13(22)10(2)23-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H2,16,17,18,19,22)
InChIKeyOIHFNQJBVGYISR-UHFFFAOYSA-N
XLogP1.13
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265865
2-(phenoxymethyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 1266131
6-Chloro-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 665997
N-(4-hydroxy-6-methyl-5-phenoxypyrimidin-2-yl)propionamide
CID 135449534
N-(4-hydroxy-6-methyl-5-phenoxypyrimidin-2-yl)acetamide
CID 135450643
5,6-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 665993
2-Amino-6-methyl-5-phenoxypyrimidin-4-ol
CID 135411373
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methyl-1,3-dihydropyrazol-3-yl]-2-phenoxypropanamide
CID 136192919
1,7-Dihydro-5-methyl-7-oxo-6-phenoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-acetic acid
CID 671395
2-(phenoxymethyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 1265069
5-[(2-fluorophenoxy)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 5307057
2-(2,4-difluorophenoxy)-N-(6-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 162626857

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)-2-phenoxypropanamide?
The IUPAC name of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide (CID 23607376) is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide is Cc1cc(=O)n2[nH]c(NC(=O)C(C)Oc3ccccc3)nc2n1.
What is the InChIKey of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
The InChIKey is OIHFNQJBVGYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-8-12(21)20-15(16-9)18-14(19-20)17-13(22)10(2)23-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H2,16,17,18,19,22).
What are the key properties of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide has a molecular weight of 313.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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)-2-phenoxypropanamide is sourced from PubChem (CID 23607376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).