CID 70452597

C3H3N3Na3O3 — CID 70452597

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na].[Na]
InChIInChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;
InChIKeyYGVXAOYZZXLWGG-UHFFFAOYSA-N
MW198.05 g/mol
LogP-3.39
Rot. Bonds

About CID 70452597

CID 70452597 (PubChem CID 70452597) has the molecular formula C3H3N3Na3O3 and a molecular weight of 198.05 g/mol.

Molecular Properties

Compound NameCID 70452597
PubChem CID70452597
Molecular FormulaC3H3N3Na3O3
Molecular Weight198.05 g/mol
Exact Mass197.99
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na].[Na]
InChIInChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;
InChIKeyYGVXAOYZZXLWGG-UHFFFAOYSA-N
XLogP-3.39
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 5-3.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 70452597?
The IUPAC name of CID 70452597 (CID 70452597) is not available.
What is the SMILES notation for CID 70452597?
The canonical SMILES for CID 70452597 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na].[Na].
What is the InChIKey of CID 70452597?
The InChIKey is YGVXAOYZZXLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.3Na/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 70452597?
CID 70452597 has a molecular weight of 198.05 g/mol, XLogP of -3.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70452597 is sourced from PubChem (CID 70452597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).