sulfonylurea;1,3,5-triazine

C4H5N5O3S — CID 19074086

IUPACsulfonylurea;1,3,5-triazine
SMILESNC(=O)N=S(=O)=O.c1ncncn1
InChIInChI=1S/C3H3N3.CH2N2O3S/c1-4-2-6-3-5-1;2-1(4)3-7(5)6/h1-3H;(H2,2,4)
InChIKeySQDIJTANRRAMTQ-UHFFFAOYSA-N
MW203.18 g/mol
LogP-1.00
Rot. Bonds

About sulfonylurea;1,3,5-triazine

sulfonylurea;1,3,5-triazine (PubChem CID 19074086) has the molecular formula C4H5N5O3S and a molecular weight of 203.18 g/mol. Its IUPAC name is sulfonylurea;1,3,5-triazine.

Molecular Properties

Compound Namesulfonylurea;1,3,5-triazine
PubChem CID19074086
Molecular FormulaC4H5N5O3S
Molecular Weight203.18 g/mol
Exact Mass203.01
IUPAC Namesulfonylurea;1,3,5-triazine
SMILESNC(=O)N=S(=O)=O.c1ncncn1
InChIInChI=1S/C3H3N3.CH2N2O3S/c1-4-2-6-3-5-1;2-1(4)3-7(5)6/h1-3H;(H2,2,4)
InChIKeySQDIJTANRRAMTQ-UHFFFAOYSA-N
XLogP-1.00
TPSA128.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sulfonylurea;1,3,5-triazine?
The IUPAC name of sulfonylurea;1,3,5-triazine (CID 19074086) is sulfonylurea;1,3,5-triazine.
What is the SMILES notation for sulfonylurea;1,3,5-triazine?
The canonical SMILES for sulfonylurea;1,3,5-triazine is NC(=O)N=S(=O)=O.c1ncncn1.
What is the InChIKey of sulfonylurea;1,3,5-triazine?
The InChIKey is SQDIJTANRRAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.CH2N2O3S/c1-4-2-6-3-5-1;2-1(4)3-7(5)6/h1-3H;(H2,2,4).
What are the key properties of sulfonylurea;1,3,5-triazine?
sulfonylurea;1,3,5-triazine has a molecular weight of 203.18 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfonylurea;1,3,5-triazine is sourced from PubChem (CID 19074086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).