[5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

C13H15N5O4 — CID 134991011

IUPAC[5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1CCC(n2ccc(-n3cncn3)nc2=O)O1
InChIInChI=1S/C13H15N5O4/c1-9(19)21-6-10-2-3-12(22-10)17-5-4-11(16-13(17)20)18-8-14-7-15-18/h4-5,7-8,10,12H,2-3,6H2,1H3
InChIKeyLSDJHBWTQIVDGP-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.06
Rot. Bonds4

About [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

[5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate (PubChem CID 134991011) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
PubChem CID134991011
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name[5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1CCC(n2ccc(-n3cncn3)nc2=O)O1
InChIInChI=1S/C13H15N5O4/c1-9(19)21-6-10-2-3-12(22-10)17-5-4-11(16-13(17)20)18-8-14-7-15-18/h4-5,7-8,10,12H,2-3,6H2,1H3
InChIKeyLSDJHBWTQIVDGP-UHFFFAOYSA-N
XLogP0.06
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
The IUPAC name of [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate (CID 134991011) is [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate.
What is the SMILES notation for [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
The canonical SMILES for [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate is CC(=O)OCC1CCC(n2ccc(-n3cncn3)nc2=O)O1.
What is the InChIKey of [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
The InChIKey is LSDJHBWTQIVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-9(19)21-6-10-2-3-12(22-10)17-5-4-11(16-13(17)20)18-8-14-7-15-18/h4-5,7-8,10,12H,2-3,6H2,1H3.
What are the key properties of [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
[5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate has a molecular weight of 305.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate is sourced from PubChem (CID 134991011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).