6,7-dihydropurin-6-id-2-amine;tungsten

C5H4N5W- — CID 58774725

IUPAC6,7-dihydropurin-6-id-2-amine;tungsten
SMILESNc1n[c-]c2[nH]cnc2n1.[W]
InChIInChI=1S/C5H4N5.W/c6-5-7-1-3-4(10-5)9-2-8-3;/h2H,(H3,6,7,8,9,10);/q-1;
InChIKeyLUJORFDIPWOGDF-UHFFFAOYSA-N
MW317.96 g/mol
LogP-0.27
Rot. Bonds

About 6,7-dihydropurin-6-id-2-amine;tungsten

6,7-dihydropurin-6-id-2-amine;tungsten (PubChem CID 58774725) has the molecular formula C5H4N5W- and a molecular weight of 317.96 g/mol. Its IUPAC name is 6,7-dihydropurin-6-id-2-amine;tungsten.

Molecular Properties

Compound Name6,7-dihydropurin-6-id-2-amine;tungsten
PubChem CID58774725
Molecular FormulaC5H4N5W-
Molecular Weight317.96 g/mol
Exact Mass318.00
IUPAC Name6,7-dihydropurin-6-id-2-amine;tungsten
SMILESNc1n[c-]c2[nH]cnc2n1.[W]
InChIInChI=1S/C5H4N5.W/c6-5-7-1-3-4(10-5)9-2-8-3;/h2H,(H3,6,7,8,9,10);/q-1;
InChIKeyLUJORFDIPWOGDF-UHFFFAOYSA-N
XLogP-0.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.96
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydropurin-6-id-2-amine;tungsten?
The IUPAC name of 6,7-dihydropurin-6-id-2-amine;tungsten (CID 58774725) is 6,7-dihydropurin-6-id-2-amine;tungsten.
What is the SMILES notation for 6,7-dihydropurin-6-id-2-amine;tungsten?
The canonical SMILES for 6,7-dihydropurin-6-id-2-amine;tungsten is Nc1n[c-]c2[nH]cnc2n1.[W].
What is the InChIKey of 6,7-dihydropurin-6-id-2-amine;tungsten?
The InChIKey is LUJORFDIPWOGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N5.W/c6-5-7-1-3-4(10-5)9-2-8-3;/h2H,(H3,6,7,8,9,10);/q-1;.
What are the key properties of 6,7-dihydropurin-6-id-2-amine;tungsten?
6,7-dihydropurin-6-id-2-amine;tungsten has a molecular weight of 317.96 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydropurin-6-id-2-amine;tungsten is sourced from PubChem (CID 58774725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).