CID 170328333

C6H4N4Na — CID 170328333

IUPAC—
SMILESN#CCC(N)=C(C#N)C#N.[Na]
InChIInChI=1S/C6H4N4.Na/c7-2-1-6(10)5(3-8)4-9;/h1,10H2;
InChIKeyWFXANNKIEDOSDK-UHFFFAOYSA-N
MW155.12 g/mol
LogP-0.22
Rot. Bonds1

About CID 170328333

CID 170328333 (PubChem CID 170328333) has the molecular formula C6H4N4Na and a molecular weight of 155.12 g/mol.

Molecular Properties

Compound NameCID 170328333
PubChem CID170328333
Molecular FormulaC6H4N4Na
Molecular Weight155.12 g/mol
Exact Mass155.03
IUPAC Name—
SMILESN#CCC(N)=C(C#N)C#N.[Na]
InChIInChI=1S/C6H4N4.Na/c7-2-1-6(10)5(3-8)4-9;/h1,10H2;
InChIKeyWFXANNKIEDOSDK-UHFFFAOYSA-N
XLogP-0.22
TPSA97.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170328333?
The IUPAC name of CID 170328333 (CID 170328333) is not available.
What is the SMILES notation for CID 170328333?
The canonical SMILES for CID 170328333 is N#CCC(N)=C(C#N)C#N.[Na].
What is the InChIKey of CID 170328333?
The InChIKey is WFXANNKIEDOSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4.Na/c7-2-1-6(10)5(3-8)4-9;/h1,10H2;.
What are the key properties of CID 170328333?
CID 170328333 has a molecular weight of 155.12 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170328333 is sourced from PubChem (CID 170328333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).