CID 102142656

C10H6N3O — CID 102142656

IUPAC—
SMILES[O]n1c2ccncc2c2cnccc21
InChIInChI=1S/C10H6N3O/c14-13-9-1-3-11-5-7(9)8-6-12-4-2-10(8)13/h1-6H
InChIKeyWXRFZVPNZOMMEP-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.78
Rot. Bonds

About CID 102142656

CID 102142656 (PubChem CID 102142656) has the molecular formula C10H6N3O and a molecular weight of 184.18 g/mol.

Molecular Properties

Compound NameCID 102142656
PubChem CID102142656
Molecular FormulaC10H6N3O
Molecular Weight184.18 g/mol
Exact Mass184.05
IUPAC Name—
SMILES[O]n1c2ccncc2c2cnccc21
InChIInChI=1S/C10H6N3O/c14-13-9-1-3-11-5-7(9)8-6-12-4-2-10(8)13/h1-6H
InChIKeyWXRFZVPNZOMMEP-UHFFFAOYSA-N
XLogP1.78
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102142656?
The IUPAC name of CID 102142656 (CID 102142656) is not available.
What is the SMILES notation for CID 102142656?
The canonical SMILES for CID 102142656 is [O]n1c2ccncc2c2cnccc21.
What is the InChIKey of CID 102142656?
The InChIKey is WXRFZVPNZOMMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N3O/c14-13-9-1-3-11-5-7(9)8-6-12-4-2-10(8)13/h1-6H.
What are the key properties of CID 102142656?
CID 102142656 has a molecular weight of 184.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102142656 is sourced from PubChem (CID 102142656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).