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5-Hydroxymethyl-6-azauracil

CAT: 0572-TRC-H805160-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H805160-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4449-45-0
Hazard Statement
No Data Available
Smiles
OCC1=NNC(=O)NC1=O
Molecular Formula
C4 H5 N3 O3
Molecular Weight
143.101
InChI
InChI=1S/C4H5N3O3/c8-1-2-3(9)5-4(10)7-6-2/h8H,1H2,(H2,5,7,9,10)
Additionnal Information
IUPAC name: 6-(hydroxymethyl)-2H-1,2,4-triazine-3,5-dione
Shipping Conditions
Room Temperature

Chemical Information

6-(Hydroxymethyl)-1,2,4-triazine-3,5-diol
CAS Number4449-45-0
PubChem CID45083507
IUPAC Name6-(hydroxymethyl)-2H-1,2,4-triazine-3,5-dione
Molecular FormulaC4H5N3O3
Molecular Weight143.10
XLogP-0.4
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity210
SMILES
C(C1=NNC(=O)NC1=O)O
InChI
InChI=1S/C4H5N3O3/c8-1-2-3(9)5-4(10)7-6-2/h8H,1H2,(H2,5,7,9,10)
InChIKey
BDNQWCVSFMASIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Hydroxymethyl)-1,2,4-triazine-3,5-diol
CAS: 4449-45-0
CID: 45083507
Formula: C4H5N3O3
MW: 143.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.10
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass143.03309103
Monoisotopic Mass143.03309103
Topological Polar Surface Area90.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity210
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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