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2,4-Dimethoxy-1,3,5-triazine

CAT: 0931-TNU0813-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0813-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1898-72-2
Target
Others
Related Pathways
Others
Bioactivity
Heterocyclic Compounds - Triazine; Intermediate and Building Block - Nucleoside base
Smiles
COc1ncnc(OC)n1
Molecular Formula
C5H7N3O2
Molecular Weight
141.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,4-Dimethoxy-1,3,5-triazine
CAS Number1898-72-2
PubChem CID243963
IUPAC Name2,4-dimethoxy-1,3,5-triazine
Molecular FormulaC5H7N3O2
Molecular Weight141.13
XLogP0.6
Topological Polar Surface Area57.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity90
SMILES
COC1=NC(=NC=N1)OC
InChI
InChI=1S/C5H7N3O2/c1-9-4-6-3-7-5(8-4)10-2/h3H,1-2H3
InChIKey
RIRBAVAYPRSMRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethoxy-1,3,5-triazine
CAS: 1898-72-2
CID: 243963
Formula: C5H7N3O2
MW: 141.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.13
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass141.053826475
Monoisotopic Mass141.053826475
Topological Polar Surface Area57.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity90.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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