azane;bis(1,3,5-triazinane-2,4,6-trione)

C6H9N7O6 — CID 174431153

IUPACazane;bis(1,3,5-triazinane-2,4,6-trione)
SMILESN.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C3H3N3O3.H3N/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);1H3
InChIKeyYWFYBXHDOYXJTQ-UHFFFAOYSA-N
MW275.18 g/mol
LogP-4.34
Rot. Bonds

About azane;bis(1,3,5-triazinane-2,4,6-trione)

azane;bis(1,3,5-triazinane-2,4,6-trione) (PubChem CID 174431153) has the molecular formula C6H9N7O6 and a molecular weight of 275.18 g/mol. Its IUPAC name is azane;bis(1,3,5-triazinane-2,4,6-trione).

Molecular Properties

Compound Nameazane;bis(1,3,5-triazinane-2,4,6-trione)
PubChem CID174431153
Molecular FormulaC6H9N7O6
Molecular Weight275.18 g/mol
Exact Mass275.06
IUPAC Nameazane;bis(1,3,5-triazinane-2,4,6-trione)
SMILESN.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C3H3N3O3.H3N/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);1H3
InChIKeyYWFYBXHDOYXJTQ-UHFFFAOYSA-N
XLogP-4.34
TPSA232.16 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 5-4.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze azane;bis(1,3,5-triazinane-2,4,6-trione) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;bis(1,3,5-triazinane-2,4,6-trione)?
The IUPAC name of azane;bis(1,3,5-triazinane-2,4,6-trione) (CID 174431153) is azane;bis(1,3,5-triazinane-2,4,6-trione).
What is the SMILES notation for azane;bis(1,3,5-triazinane-2,4,6-trione)?
The canonical SMILES for azane;bis(1,3,5-triazinane-2,4,6-trione) is N.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of azane;bis(1,3,5-triazinane-2,4,6-trione)?
The InChIKey is YWFYBXHDOYXJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3O3.H3N/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);1H3.
What are the key properties of azane;bis(1,3,5-triazinane-2,4,6-trione)?
azane;bis(1,3,5-triazinane-2,4,6-trione) has a molecular weight of 275.18 g/mol, XLogP of -4.34, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(1,3,5-triazinane-2,4,6-trione) is sourced from PubChem (CID 174431153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).