CID 67544527

C3H3N3NaO3 — CID 67544527

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]
InChIInChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);
InChIKeyQBILQWNTFUSQBC-UHFFFAOYSA-N
MW152.06 g/mol
LogP-2.63
Rot. Bonds

About CID 67544527

CID 67544527 (PubChem CID 67544527) has the molecular formula C3H3N3NaO3 and a molecular weight of 152.06 g/mol.

Molecular Properties

Compound NameCID 67544527
PubChem CID67544527
Molecular FormulaC3H3N3NaO3
Molecular Weight152.06 g/mol
Exact Mass152.01
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]
InChIInChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);
InChIKeyQBILQWNTFUSQBC-UHFFFAOYSA-N
XLogP-2.63
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.06
LogP ≤ 5-2.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 67544527?
The IUPAC name of CID 67544527 (CID 67544527) is not available.
What is the SMILES notation for CID 67544527?
The canonical SMILES for CID 67544527 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].
What is the InChIKey of CID 67544527?
The InChIKey is QBILQWNTFUSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);.
What are the key properties of CID 67544527?
CID 67544527 has a molecular weight of 152.06 g/mol, XLogP of -2.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67544527 is sourced from PubChem (CID 67544527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).