1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea

C6H7N5O4S — CID 18425044

IUPAC1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea
SMILESCOc1nc(C)nc(NC(=O)N=S(=O)=O)n1
InChIInChI=1S/C6H7N5O4S/c1-3-7-4(10-6(8-3)15-2)9-5(12)11-16(13)14/h1-2H3,(H,7,8,9,10,12)
InChIKeyNDCHWYKFTPQCDU-UHFFFAOYSA-N
MW245.22 g/mol
LogP-0.22
Rot. Bonds2

About 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea

1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea (PubChem CID 18425044) has the molecular formula C6H7N5O4S and a molecular weight of 245.22 g/mol. Its IUPAC name is 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea.

Molecular Properties

Compound Name1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea
PubChem CID18425044
Molecular FormulaC6H7N5O4S
Molecular Weight245.22 g/mol
Exact Mass245.02
IUPAC Name1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea
SMILESCOc1nc(C)nc(NC(=O)N=S(=O)=O)n1
InChIInChI=1S/C6H7N5O4S/c1-3-7-4(10-6(8-3)15-2)9-5(12)11-16(13)14/h1-2H3,(H,7,8,9,10,12)
InChIKeyNDCHWYKFTPQCDU-UHFFFAOYSA-N
XLogP-0.22
TPSA123.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
The IUPAC name of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea (CID 18425044) is 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea.
What is the SMILES notation for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
The canonical SMILES for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea is COc1nc(C)nc(NC(=O)N=S(=O)=O)n1.
What is the InChIKey of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
The InChIKey is NDCHWYKFTPQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O4S/c1-3-7-4(10-6(8-3)15-2)9-5(12)11-16(13)14/h1-2H3,(H,7,8,9,10,12).
What are the key properties of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea?
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea has a molecular weight of 245.22 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea is sourced from PubChem (CID 18425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).