CID 70149619

C3H3N3Na2O3 — CID 70149619

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na]
InChIInChI=1S/C3H3N3O3.2Na/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;
InChIKeyQTYHDXHSPGQUJM-UHFFFAOYSA-N
MW175.05 g/mol
LogP-3.01
Rot. Bonds

About CID 70149619

CID 70149619 (PubChem CID 70149619) has the molecular formula C3H3N3Na2O3 and a molecular weight of 175.05 g/mol.

Molecular Properties

Compound NameCID 70149619
PubChem CID70149619
Molecular FormulaC3H3N3Na2O3
Molecular Weight175.05 g/mol
Exact Mass175.00
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na]
InChIInChI=1S/C3H3N3O3.2Na/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;
InChIKeyQTYHDXHSPGQUJM-UHFFFAOYSA-N
XLogP-3.01
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.05
LogP ≤ 5-3.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 70149619?
The IUPAC name of CID 70149619 (CID 70149619) is not available.
What is the SMILES notation for CID 70149619?
The canonical SMILES for CID 70149619 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].[Na].
What is the InChIKey of CID 70149619?
The InChIKey is QTYHDXHSPGQUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.2Na/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 70149619?
CID 70149619 has a molecular weight of 175.05 g/mol, XLogP of -3.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70149619 is sourced from PubChem (CID 70149619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).