4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

C5H8N4O2S — CID 63866964

IUPAC4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1ncnc(N)n1
InChIInChI=1S/C5H8N4O2S/c1-12(10,11)2-4-7-3-8-5(6)9-4/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyIQJZXKQFAYMUQL-UHFFFAOYSA-N
MW188.21 g/mol
LogP-1.00
Rot. Bonds2

About 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63866964) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID63866964
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1ncnc(N)n1
InChIInChI=1S/C5H8N4O2S/c1-12(10,11)2-4-7-3-8-5(6)9-4/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyIQJZXKQFAYMUQL-UHFFFAOYSA-N
XLogP-1.00
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
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 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 63866964) is 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is CS(=O)(=O)Cc1ncnc(N)n1.
What is the InChIKey of 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is IQJZXKQFAYMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-12(10,11)2-4-7-3-8-5(6)9-4/h3H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 188.21 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63866964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).