but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea

C10H15N5O3S — CID 173425118

IUPACbut-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea
SMILESCC=CC.Cc1nc(C)nc(NC(=O)N=S(=O)=O)n1
InChIInChI=1S/C6H7N5O3S.C4H8/c1-3-7-4(2)9-5(8-3)10-6(12)11-15(13)14;1-3-4-2/h1-2H3,(H,7,8,9,10,12);3-4H,1-2H3
InChIKeySDMUMEXUQYBBEO-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.67
Rot. Bonds1

About but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea

but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea (PubChem CID 173425118) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea.

Molecular Properties

Compound Namebut-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea
PubChem CID173425118
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Namebut-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea
SMILESCC=CC.Cc1nc(C)nc(NC(=O)N=S(=O)=O)n1
InChIInChI=1S/C6H7N5O3S.C4H8/c1-3-7-4(2)9-5(8-3)10-6(12)11-15(13)14;1-3-4-2/h1-2H3,(H,7,8,9,10,12);3-4H,1-2H3
InChIKeySDMUMEXUQYBBEO-UHFFFAOYSA-N
XLogP1.67
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
The IUPAC name of but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea (CID 173425118) is but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea.
What is the SMILES notation for but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
The canonical SMILES for but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea is CC=CC.Cc1nc(C)nc(NC(=O)N=S(=O)=O)n1.
What is the InChIKey of but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
The InChIKey is SDMUMEXUQYBBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O3S.C4H8/c1-3-7-4(2)9-5(8-3)10-6(12)11-15(13)14;1-3-4-2/h1-2H3,(H,7,8,9,10,12);3-4H,1-2H3.
What are the key properties of but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea has a molecular weight of 285.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea is sourced from PubChem (CID 173425118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).