4-amino-6-methyl-1,3,5-triazine-2-sulfonamide

C4H7N5O2S — CID 123850131

IUPAC4-amino-6-methyl-1,3,5-triazine-2-sulfonamide
SMILESCc1nc(N)nc(S(N)(=O)=O)n1
InChIInChI=1S/C4H7N5O2S/c1-2-7-3(5)9-4(8-2)12(6,10)11/h1H3,(H2,6,10,11)(H2,5,7,8,9)
InChIKeyLFWJTMAGTPSRQP-UHFFFAOYSA-N
MW189.20 g/mol
LogP-1.59
Rot. Bonds1

About 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide

4-amino-6-methyl-1,3,5-triazine-2-sulfonamide (PubChem CID 123850131) has the molecular formula C4H7N5O2S and a molecular weight of 189.20 g/mol. Its IUPAC name is 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide.

Molecular Properties

Compound Name4-amino-6-methyl-1,3,5-triazine-2-sulfonamide
PubChem CID123850131
Molecular FormulaC4H7N5O2S
Molecular Weight189.20 g/mol
Exact Mass189.03
IUPAC Name4-amino-6-methyl-1,3,5-triazine-2-sulfonamide
SMILESCc1nc(N)nc(S(N)(=O)=O)n1
InChIInChI=1S/C4H7N5O2S/c1-2-7-3(5)9-4(8-2)12(6,10)11/h1H3,(H2,6,10,11)(H2,5,7,8,9)
InChIKeyLFWJTMAGTPSRQP-UHFFFAOYSA-N
XLogP-1.59
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide?
The IUPAC name of 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide (CID 123850131) is 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide.
What is the SMILES notation for 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide?
The canonical SMILES for 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide is Cc1nc(N)nc(S(N)(=O)=O)n1.
What is the InChIKey of 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide?
The InChIKey is LFWJTMAGTPSRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2S/c1-2-7-3(5)9-4(8-2)12(6,10)11/h1H3,(H2,6,10,11)(H2,5,7,8,9).
What are the key properties of 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide?
4-amino-6-methyl-1,3,5-triazine-2-sulfonamide has a molecular weight of 189.20 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-1,3,5-triazine-2-sulfonamide is sourced from PubChem (CID 123850131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).