4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide

C12H15N5O2S — CID 114448052

IUPAC4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
SMILESCc1nnc(NCc2ccc(S(N)(=O)=O)cc2)nc1C
InChIInChI=1S/C12H15N5O2S/c1-8-9(2)16-17-12(15-8)14-7-10-3-5-11(6-4-10)20(13,18)19/h3-6H,7H2,1-2H3,(H2,13,18,19)(H,14,15,17)
InChIKeyLPDHSMXIEQOYLY-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.75
Rot. Bonds4

About 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide

4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide (PubChem CID 114448052) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
PubChem CID114448052
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
SMILESCc1nnc(NCc2ccc(S(N)(=O)=O)cc2)nc1C
InChIInChI=1S/C12H15N5O2S/c1-8-9(2)16-17-12(15-8)14-7-10-3-5-11(6-4-10)20(13,18)19/h3-6H,7H2,1-2H3,(H2,13,18,19)(H,14,15,17)
InChIKeyLPDHSMXIEQOYLY-UHFFFAOYSA-N
XLogP0.75
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 114383127
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
CID 82562546

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide (CID 114448052) is 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide is Cc1nnc(NCc2ccc(S(N)(=O)=O)cc2)nc1C.
What is the InChIKey of 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide?
The InChIKey is LPDHSMXIEQOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8-9(2)16-17-12(15-8)14-7-10-3-5-11(6-4-10)20(13,18)19/h3-6H,7H2,1-2H3,(H2,13,18,19)(H,14,15,17).
What are the key properties of 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide?
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 114448052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).