2-[5-amino-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
79974-41-7- Standard SMILES
Nc1c(-c2ncn[nH]2)cnn1C1OC(CO)C(O)C1O- InChIKey
DWZTYSLHDFSMHF-UHFFFAOYSA-N- Molecular formula
- C10H14N6O4
- Average molar mass
- 282.26 g/mol
- Monoisotopic mass
- 282.10765295
Names & identifiers
- Preferred name
- 2-[5-amino-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[5-amino-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
79974-41-7NSC2911062-[5-amino-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diolDTXSID60315021NSC-2911061-Pentofuranosyl-4-(1H-1,2,4-triazol-5-yl)-1H-pyrazol-5-amine
Database identifiers
- CAS
79974-41-7- PubChem CID
- 324775
- DTXSID
DTXSID60315021
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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