1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea

C5H6N6O4S — CID 174373734

IUPAC1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea
SMILESNC(=O)NC(=O)NS(=O)(=O)c1ncncn1
InChIInChI=1S/C5H6N6O4S/c6-3(12)10-4(13)11-16(14,15)5-8-1-7-2-9-5/h1-2H,(H4,6,10,11,12,13)
InChIKeyWQIDDWXTZYJOOQ-UHFFFAOYSA-N
MW246.21 g/mol
LogP-2.06
Rot. Bonds2

About 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea

1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea (PubChem CID 174373734) has the molecular formula C5H6N6O4S and a molecular weight of 246.21 g/mol. Its IUPAC name is 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea.

Molecular Properties

Compound Name1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea
PubChem CID174373734
Molecular FormulaC5H6N6O4S
Molecular Weight246.21 g/mol
Exact Mass246.02
IUPAC Name1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea
SMILESNC(=O)NC(=O)NS(=O)(=O)c1ncncn1
InChIInChI=1S/C5H6N6O4S/c6-3(12)10-4(13)11-16(14,15)5-8-1-7-2-9-5/h1-2H,(H4,6,10,11,12,13)
InChIKeyWQIDDWXTZYJOOQ-UHFFFAOYSA-N
XLogP-2.06
TPSA157.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea?
The IUPAC name of 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea (CID 174373734) is 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea.
What is the SMILES notation for 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea?
The canonical SMILES for 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea is NC(=O)NC(=O)NS(=O)(=O)c1ncncn1.
What is the InChIKey of 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea?
The InChIKey is WQIDDWXTZYJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O4S/c6-3(12)10-4(13)11-16(14,15)5-8-1-7-2-9-5/h1-2H,(H4,6,10,11,12,13).
What are the key properties of 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea?
1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea has a molecular weight of 246.21 g/mol, XLogP of -2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea is sourced from PubChem (CID 174373734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).