5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C11H15N5O3 — CID 135786463

IUPAC5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)NCC2CCCO2)n2ncnc2N1
InChIInChI=1S/C11H15N5O3/c17-9-4-8(16-11(15-9)13-6-14-16)10(18)12-5-7-2-1-3-19-7/h6-8H,1-5H2,(H,12,18)(H,13,14,15,17)
InChIKeyTYZUYKQTLFLGMX-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.54
Rot. Bonds3

About 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135786463) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135786463
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)NCC2CCCO2)n2ncnc2N1
InChIInChI=1S/C11H15N5O3/c17-9-4-8(16-11(15-9)13-6-14-16)10(18)12-5-7-2-1-3-19-7/h6-8H,1-5H2,(H,12,18)(H,13,14,15,17)
InChIKeyTYZUYKQTLFLGMX-UHFFFAOYSA-N
XLogP-0.54
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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Related Compounds

(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135915566
(7S)-2-butyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135927674
(7R)-2-butyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135927677
N-naphthalen-2-yl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135786455
5-oxo-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 110696695
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851295
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
(3S,7aS)-7a-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 124838298
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135786463) is 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1CC(C(=O)NCC2CCCO2)n2ncnc2N1.
What is the InChIKey of 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is TYZUYKQTLFLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c17-9-4-8(16-11(15-9)13-6-14-16)10(18)12-5-7-2-1-3-19-7/h6-8H,1-5H2,(H,12,18)(H,13,14,15,17).
What are the key properties of 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135786463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).