1,3,5-triazine;hexahydrate

C3H15N3O6 — CID 67940904

IUPAC1,3,5-triazine;hexahydrate
SMILESO.O.O.O.O.O.c1ncncn1
InChIInChI=1S/C3H3N3.6H2O/c1-4-2-6-3-5-1;;;;;;/h1-3H;6*1H2
InChIKeyYJETYBXLXCAXTN-UHFFFAOYSA-N
MW189.17 g/mol
LogP-5.08
Rot. Bonds

About 1,3,5-triazine;hexahydrate

1,3,5-triazine;hexahydrate (PubChem CID 67940904) has the molecular formula C3H15N3O6 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1,3,5-triazine;hexahydrate.

Molecular Properties

Compound Name1,3,5-triazine;hexahydrate
PubChem CID67940904
Molecular FormulaC3H15N3O6
Molecular Weight189.17 g/mol
Exact Mass189.10
IUPAC Name1,3,5-triazine;hexahydrate
SMILESO.O.O.O.O.O.c1ncncn1
InChIInChI=1S/C3H3N3.6H2O/c1-4-2-6-3-5-1;;;;;;/h1-3H;6*1H2
InChIKeyYJETYBXLXCAXTN-UHFFFAOYSA-N
XLogP-5.08
TPSA227.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-5.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine;hexahydrate?
The IUPAC name of 1,3,5-triazine;hexahydrate (CID 67940904) is 1,3,5-triazine;hexahydrate.
What is the SMILES notation for 1,3,5-triazine;hexahydrate?
The canonical SMILES for 1,3,5-triazine;hexahydrate is O.O.O.O.O.O.c1ncncn1.
What is the InChIKey of 1,3,5-triazine;hexahydrate?
The InChIKey is YJETYBXLXCAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.6H2O/c1-4-2-6-3-5-1;;;;;;/h1-3H;6*1H2.
What are the key properties of 1,3,5-triazine;hexahydrate?
1,3,5-triazine;hexahydrate has a molecular weight of 189.17 g/mol, XLogP of -5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine;hexahydrate is sourced from PubChem (CID 67940904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).