1,3,5-triazin-2-ylsulfonylurea

C4H5N5O3S — CID 54012525

IUPAC1,3,5-triazin-2-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ncncn1
InChIInChI=1S/C4H5N5O3S/c5-3(10)9-13(11,12)4-7-1-6-2-8-4/h1-2H,(H3,5,9,10)
InChIKeyKTIWVNXYVANAJU-UHFFFAOYSA-N
MW203.18 g/mol
LogP-1.77
Rot. Bonds2

About 1,3,5-triazin-2-ylsulfonylurea

1,3,5-triazin-2-ylsulfonylurea (PubChem CID 54012525) has the molecular formula C4H5N5O3S and a molecular weight of 203.18 g/mol. Its IUPAC name is 1,3,5-triazin-2-ylsulfonylurea.

Molecular Properties

Compound Name1,3,5-triazin-2-ylsulfonylurea
PubChem CID54012525
Molecular FormulaC4H5N5O3S
Molecular Weight203.18 g/mol
Exact Mass203.01
IUPAC Name1,3,5-triazin-2-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ncncn1
InChIInChI=1S/C4H5N5O3S/c5-3(10)9-13(11,12)4-7-1-6-2-8-4/h1-2H,(H3,5,9,10)
InChIKeyKTIWVNXYVANAJU-UHFFFAOYSA-N
XLogP-1.77
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-1,3,5-triazine-2-sulfonic acid
CID 15608174
Sulfonylurea;1,3,5-triazine
CID 19074086
1,3,5-Triazine-2-sulfonamide
CID 20026162
N-(1,3,5-triazin-2-yl)methanesulfonamide
CID 54054805
N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide
CID 54114751
4-(Diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
CID 56630131
Amino 1,3,5-triazine-2-sulfonate
CID 57283303
N-(1,3,5-triazin-2-ylsulfonyl)formamide
CID 173146461
1-Carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea
CID 174373734
Aminomethyl 1,3,5-triazine-2-sulfonate
CID 174772001
2-[Carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine
CID 175594396
4-(Diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid
CID 56630132

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-ylsulfonylurea?
The IUPAC name of 1,3,5-triazin-2-ylsulfonylurea (CID 54012525) is 1,3,5-triazin-2-ylsulfonylurea.
What is the SMILES notation for 1,3,5-triazin-2-ylsulfonylurea?
The canonical SMILES for 1,3,5-triazin-2-ylsulfonylurea is NC(=O)NS(=O)(=O)c1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-ylsulfonylurea?
The InChIKey is KTIWVNXYVANAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O3S/c5-3(10)9-13(11,12)4-7-1-6-2-8-4/h1-2H,(H3,5,9,10).
What are the key properties of 1,3,5-triazin-2-ylsulfonylurea?
1,3,5-triazin-2-ylsulfonylurea has a molecular weight of 203.18 g/mol, XLogP of -1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-ylsulfonylurea is sourced from PubChem (CID 54012525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).