CID 171750558

C7H17N3OSV — CID 171750558

IUPAC—
SMILESCS(N)(=O)=NN1C[CH-]C1.C[CH-]C.[V+2]
InChIInChI=1S/C4H10N3OS.C3H7.V/c1-9(5,8)6-7-3-2-4-7;1-3-2;/h2H,3-4H2,1H3,(H2,5,6,8);3H,1-2H3;/q2*-1;+2
InChIKeyHAKIDIHAFOHBLE-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.62
Rot. Bonds1

About CID 171750558

CID 171750558 (PubChem CID 171750558) has the molecular formula C7H17N3OSV and a molecular weight of 242.24 g/mol.

Molecular Properties

Compound NameCID 171750558
PubChem CID171750558
Molecular FormulaC7H17N3OSV
Molecular Weight242.24 g/mol
Exact Mass242.05
IUPAC Name—
SMILESCS(N)(=O)=NN1C[CH-]C1.C[CH-]C.[V+2]
InChIInChI=1S/C4H10N3OS.C3H7.V/c1-9(5,8)6-7-3-2-4-7;1-3-2;/h2H,3-4H2,1H3,(H2,5,6,8);3H,1-2H3;/q2*-1;+2
InChIKeyHAKIDIHAFOHBLE-UHFFFAOYSA-N
XLogP0.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 CID 171750558?
The IUPAC name of CID 171750558 (CID 171750558) is not available.
What is the SMILES notation for CID 171750558?
The canonical SMILES for CID 171750558 is CS(N)(=O)=NN1C[CH-]C1.C[CH-]C.[V+2].
What is the InChIKey of CID 171750558?
The InChIKey is HAKIDIHAFOHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3OS.C3H7.V/c1-9(5,8)6-7-3-2-4-7;1-3-2;/h2H,3-4H2,1H3,(H2,5,6,8);3H,1-2H3;/q2*-1;+2.
What are the key properties of CID 171750558?
CID 171750558 has a molecular weight of 242.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171750558 is sourced from PubChem (CID 171750558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).