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

HCID 390216

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)OCC1OC(n2cc(C)c(-n3cncn3)nc2=O)CC1N=[N+]=[N-]
InChIKey: MHODAINRPIQHQG-UHFFFAOYSA-N
Molecular formula: C14H16N8O4
Average molar mass: 360.33 g/mol

Names & identifiers

Preferred name: [3-Azido-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
IUPAC: [3-azido-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

Names & synonyms

NSC687372NSC-687372

Database identifiers

PubChem CID: 390216

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 113 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 701

Related reactions

2 records

New reaction record

HRID 830862 reaction equation

HRID 830862As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1121594 reaction equation

HRID 1121594As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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[3-Azido-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate (HCID 390216)｜Huagongshe