CID 134797610

C₁₆H₁₇N₅O₂S — CID 134797610

About CID 134797610

CID 134797610 (PubChem CID 134797610) has the molecular formula C₁₆H₁₇N₅O₂S and a molecular weight of 343.41 g/mol.

Molecular Properties

• Compound Name: CID 134797610
• PubChem CID: 134797610
• Molecular Formula: C₁₆H₁₇N₅O₂S
• Molecular Weight: 343.41 g/mol
• Exact Mass: 343.11
• IUPAC Name: —
• SMILES: O=[S+]([O-])(NC1CCN(c2ccnc3ccnn23)C1)c1ccccc1
• InChI: InChI=1S/C16H17N5O2S/c22-24(23,14-4-2-1-3-5-14)19-13-8-11-20(12-13)16-7-9-17-15-6-10-18-21(15)16/h1-7,9-10,13H,8,11-12H2,(H-,19,22,23)
• InChIKey: MFZIJUMWNOBIHZ-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.41
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 134797610?

The IUPAC name of CID 134797610 (CID 134797610) is not available.

What is the SMILES notation for CID 134797610?

The canonical SMILES for CID 134797610 is O=[S+]([O-])(NC1CCN(c2ccnc3ccnn23)C1)c1ccccc1.

What is the InChIKey of CID 134797610?

The InChIKey is MFZIJUMWNOBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-24(23,14-4-2-1-3-5-14)19-13-8-11-20(12-13)16-7-9-17-15-6-10-18-21(15)16/h1-7,9-10,13H,8,11-12H2,(H-,19,22,23).

What are the key properties of CID 134797610?

CID 134797610 has a molecular weight of 343.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 134797610 is sourced from PubChem (CID 134797610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134797610 — identifiers, structure, computed properties (public domain)

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