CID 157324522

C6H4N4NaO — CID 157324522

IUPAC—
SMILESO=c1ncc2nccnc2[nH]1.[Na]
InChIInChI=1S/C6H4N4O.Na/c11-6-9-3-4-5(10-6)8-2-1-7-4;/h1-3H,(H,8,9,10,11);
InChIKeyBEOAYHGWRUBNCB-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.67
Rot. Bonds

About CID 157324522

CID 157324522 (PubChem CID 157324522) has the molecular formula C6H4N4NaO and a molecular weight of 171.12 g/mol.

Molecular Properties

Compound NameCID 157324522
PubChem CID157324522
Molecular FormulaC6H4N4NaO
Molecular Weight171.12 g/mol
Exact Mass171.03
IUPAC Name—
SMILESO=c1ncc2nccnc2[nH]1.[Na]
InChIInChI=1S/C6H4N4O.Na/c11-6-9-3-4-5(10-6)8-2-1-7-4;/h1-3H,(H,8,9,10,11);
InChIKeyBEOAYHGWRUBNCB-UHFFFAOYSA-N
XLogP-0.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 157324522?
The IUPAC name of CID 157324522 (CID 157324522) is not available.
What is the SMILES notation for CID 157324522?
The canonical SMILES for CID 157324522 is O=c1ncc2nccnc2[nH]1.[Na].
What is the InChIKey of CID 157324522?
The InChIKey is BEOAYHGWRUBNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O.Na/c11-6-9-3-4-5(10-6)8-2-1-7-4;/h1-3H,(H,8,9,10,11);.
What are the key properties of CID 157324522?
CID 157324522 has a molecular weight of 171.12 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157324522 is sourced from PubChem (CID 157324522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).