sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione

C3H2N3NaO3 — CID 23721627

IUPACsodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione
SMILESO=c1[n-]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);/q;+1/p-1
InChIKeyQHFDHWJHIAVELW-UHFFFAOYSA-M
MW151.06 g/mol
LogP-5.62
Rot. Bonds

About sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione

sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione (PubChem CID 23721627) has the molecular formula C3H2N3NaO3 and a molecular weight of 151.06 g/mol. Its IUPAC name is sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione.

Molecular Properties

Compound Namesodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione
PubChem CID23721627
Molecular FormulaC3H2N3NaO3
Molecular Weight151.06 g/mol
Exact Mass151.00
IUPAC Namesodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione
SMILESO=c1[n-]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);/q;+1/p-1
InChIKeyQHFDHWJHIAVELW-UHFFFAOYSA-M
XLogP-5.62
TPSA96.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.06
LogP ≤ 5-5.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione?
The IUPAC name of sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione (CID 23721627) is sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione.
What is the SMILES notation for sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione?
The canonical SMILES for sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione is O=c1[n-]c(=O)[nH]c(=O)[nH]1.[Na+].
What is the InChIKey of sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione?
The InChIKey is QHFDHWJHIAVELW-UHFFFAOYSA-M. 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);/q;+1/p-1.
What are the key properties of sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione?
sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione has a molecular weight of 151.06 g/mol, XLogP of -5.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,3-diaza-5-azanidacyclohexane-2,4,6-trione is sourced from PubChem (CID 23721627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).