CID 134797291

C11H15N5O2S — CID 134797291

IUPAC—
SMILESC[S+](=O)([O-])NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)14-9-4-7-15(8-9)11-3-5-12-10-2-6-13-16(10)11/h2-3,5-6,9H,4,7-8H2,1H3,(H-,14,17,18)
InChIKeyVQZUQHPQEXCNQQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.07
Rot. Bonds3

About CID 134797291

CID 134797291 (PubChem CID 134797291) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol.

Molecular Properties

Compound NameCID 134797291
PubChem CID134797291
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name—
SMILESC[S+](=O)([O-])NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)14-9-4-7-15(8-9)11-3-5-12-10-2-6-13-16(10)11/h2-3,5-6,9H,4,7-8H2,1H3,(H-,14,17,18)
InChIKeyVQZUQHPQEXCNQQ-UHFFFAOYSA-N
XLogP0.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134797291?
The IUPAC name of CID 134797291 (CID 134797291) is not available.
What is the SMILES notation for CID 134797291?
The canonical SMILES for CID 134797291 is C[S+](=O)([O-])NC1CCN(c2ccnc3ccnn23)C1.
What is the InChIKey of CID 134797291?
The InChIKey is VQZUQHPQEXCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-19(17,18)14-9-4-7-15(8-9)11-3-5-12-10-2-6-13-16(10)11/h2-3,5-6,9H,4,7-8H2,1H3,(H-,14,17,18).
What are the key properties of CID 134797291?
CID 134797291 has a molecular weight of 281.34 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134797291 is sourced from PubChem (CID 134797291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).