CID 172839062

C8H8N2Na — CID 172839062

IUPAC—
SMILESCn1cnc2ccccc21.[Na]
InChIInChI=1S/C8H8N2.Na/c1-10-6-9-7-4-2-3-5-8(7)10;/h2-6H,1H3;
InChIKeyWNYJSONDCGUGIK-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.19
Rot. Bonds

About CID 172839062

CID 172839062 (PubChem CID 172839062) has the molecular formula C8H8N2Na and a molecular weight of 155.16 g/mol.

Molecular Properties

Compound NameCID 172839062
PubChem CID172839062
Molecular FormulaC8H8N2Na
Molecular Weight155.16 g/mol
Exact Mass155.06
IUPAC Name—
SMILESCn1cnc2ccccc21.[Na]
InChIInChI=1S/C8H8N2.Na/c1-10-6-9-7-4-2-3-5-8(7)10;/h2-6H,1H3;
InChIKeyWNYJSONDCGUGIK-UHFFFAOYSA-N
XLogP1.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172839062?
The IUPAC name of CID 172839062 (CID 172839062) is not available.
What is the SMILES notation for CID 172839062?
The canonical SMILES for CID 172839062 is Cn1cnc2ccccc21.[Na].
What is the InChIKey of CID 172839062?
The InChIKey is WNYJSONDCGUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.Na/c1-10-6-9-7-4-2-3-5-8(7)10;/h2-6H,1H3;.
What are the key properties of CID 172839062?
CID 172839062 has a molecular weight of 155.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172839062 is sourced from PubChem (CID 172839062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).