CID 162028678

C10H9N3W — CID 162028678

IUPAC—
SMILESCc1c[c-]c(-c2[c-]n(C)nn2)cc1.[W+2]
InChIInChI=1S/C10H9N3.W/c1-8-3-5-9(6-4-8)10-7-13(2)12-11-10;/h3-5H,1-2H3;/q-2;+2
InChIKeyGRMAHHPJCNPYOY-UHFFFAOYSA-N
MW355.04 g/mol
LogP1.39
Rot. Bonds1

About CID 162028678

CID 162028678 (PubChem CID 162028678) has the molecular formula C10H9N3W and a molecular weight of 355.04 g/mol.

Molecular Properties

Compound NameCID 162028678
PubChem CID162028678
Molecular FormulaC10H9N3W
Molecular Weight355.04 g/mol
Exact Mass355.03
IUPAC Name—
SMILESCc1c[c-]c(-c2[c-]n(C)nn2)cc1.[W+2]
InChIInChI=1S/C10H9N3.W/c1-8-3-5-9(6-4-8)10-7-13(2)12-11-10;/h3-5H,1-2H3;/q-2;+2
InChIKeyGRMAHHPJCNPYOY-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.04
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 162028678?
The IUPAC name of CID 162028678 (CID 162028678) is not available.
What is the SMILES notation for CID 162028678?
The canonical SMILES for CID 162028678 is Cc1c[c-]c(-c2[c-]n(C)nn2)cc1.[W+2].
What is the InChIKey of CID 162028678?
The InChIKey is GRMAHHPJCNPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.W/c1-8-3-5-9(6-4-8)10-7-13(2)12-11-10;/h3-5H,1-2H3;/q-2;+2.
What are the key properties of CID 162028678?
CID 162028678 has a molecular weight of 355.04 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162028678 is sourced from PubChem (CID 162028678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).