2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide

C9H11N7O2S — CID 114389265

IUPAC2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cnc(N)nc2)nc1C
InChIInChI=1S/C9H11N7O2S/c1-5-6(2)14-15-9(13-5)16-19(17,18)7-3-11-8(10)12-4-7/h3-4H,1-2H3,(H2,10,11,12)(H,13,15,16)
InChIKeyOEVULVNKAOIPKM-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.34
Rot. Bonds3

About 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide

2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide (PubChem CID 114389265) has the molecular formula C9H11N7O2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
PubChem CID114389265
Molecular FormulaC9H11N7O2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cnc(N)nc2)nc1C
InChIInChI=1S/C9H11N7O2S/c1-5-6(2)14-15-9(13-5)16-19(17,18)7-3-11-8(10)12-4-7/h3-4H,1-2H3,(H2,10,11,12)(H,13,15,16)
InChIKeyOEVULVNKAOIPKM-UHFFFAOYSA-N
XLogP-0.34
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
CID 104826733
3-amino-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386803
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-sulfonamide
CID 103307784
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-amino-N-phenylpyrimidine-5-sulfonamide
CID 46360874
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386821
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272
2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386798
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide (CID 114389265) is 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide is Cc1nnc(NS(=O)(=O)c2cnc(N)nc2)nc1C.
What is the InChIKey of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
The InChIKey is OEVULVNKAOIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O2S/c1-5-6(2)14-15-9(13-5)16-19(17,18)7-3-11-8(10)12-4-7/h3-4H,1-2H3,(H2,10,11,12)(H,13,15,16).
What are the key properties of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide?
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide has a molecular weight of 281.30 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 114389265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).