N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C11H16N6O2S — CID 106082947

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2nnc(C)c(C)n2)c[nH]1
InChIInChI=1S/C11H16N6O2S/c1-7-8(2)15-16-11(14-7)17-20(18,19)10-4-9(5-12-3)13-6-10/h4,6,12-13H,5H2,1-3H3,(H,14,16,17)
InChIKeyWAESFQPTAHAXBJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.34
Rot. Bonds5

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106082947) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106082947
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2nnc(C)c(C)n2)c[nH]1
InChIInChI=1S/C11H16N6O2S/c1-7-8(2)15-16-11(14-7)17-20(18,19)10-4-9(5-12-3)13-6-10/h4,6,12-13H,5H2,1-3H3,(H,14,16,17)
InChIKeyWAESFQPTAHAXBJ-UHFFFAOYSA-N
XLogP0.34
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083008
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081043
N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058909
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
CID 104826733
N-(2-bromo-4-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106042562
N-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106053269
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106082971
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114389265
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106004740
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114142660
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106082947) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2nnc(C)c(C)n2)c[nH]1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is WAESFQPTAHAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-7-8(2)15-16-11(14-7)17-20(18,19)10-4-9(5-12-3)13-6-10/h4,6,12-13H,5H2,1-3H3,(H,14,16,17).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106082947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).