CID 160716252

C5H6N2NaO3 — CID 160716252

IUPAC—
SMILESCOc1c(O)nc[nH]c1=O.[Na]
InChIInChI=1S/C5H6N2O3.Na/c1-10-3-4(8)6-2-7-5(3)9;/h2H,1H3,(H2,6,7,8,9);
InChIKeyRSMXOEMVQOWOOO-UHFFFAOYSA-N
MW165.10 g/mol
LogP-0.90
Rot. Bonds1

About CID 160716252

CID 160716252 (PubChem CID 160716252) has the molecular formula C5H6N2NaO3 and a molecular weight of 165.10 g/mol.

Molecular Properties

Compound NameCID 160716252
PubChem CID160716252
Molecular FormulaC5H6N2NaO3
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Name—
SMILESCOc1c(O)nc[nH]c1=O.[Na]
InChIInChI=1S/C5H6N2O3.Na/c1-10-3-4(8)6-2-7-5(3)9;/h2H,1H3,(H2,6,7,8,9);
InChIKeyRSMXOEMVQOWOOO-UHFFFAOYSA-N
XLogP-0.90
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 160716252?
The IUPAC name of CID 160716252 (CID 160716252) is not available.
What is the SMILES notation for CID 160716252?
The canonical SMILES for CID 160716252 is COc1c(O)nc[nH]c1=O.[Na].
What is the InChIKey of CID 160716252?
The InChIKey is RSMXOEMVQOWOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.Na/c1-10-3-4(8)6-2-7-5(3)9;/h2H,1H3,(H2,6,7,8,9);.
What are the key properties of CID 160716252?
CID 160716252 has a molecular weight of 165.10 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160716252 is sourced from PubChem (CID 160716252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).