5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine

C10H20N6O2S — CID 106082972

IUPAC5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine
SMILESCNCCCN(C)S(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H20N6O2S/c1-8-9(2)13-14-10(12-8)15-19(17,18)16(4)7-5-6-11-3/h11H,5-7H2,1-4H3,(H,12,14,15)
InChIKeyIVJQLYSZDVLJGD-UHFFFAOYSA-N
MW288.38 g/mol
LogP-0.31
Rot. Bonds7

About 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine

5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine (PubChem CID 106082972) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine
PubChem CID106082972
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC Name5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine
SMILESCNCCCN(C)S(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H20N6O2S/c1-8-9(2)13-14-10(12-8)15-19(17,18)16(4)7-5-6-11-3/h11H,5-7H2,1-4H3,(H,12,14,15)
InChIKeyIVJQLYSZDVLJGD-UHFFFAOYSA-N
XLogP-0.31
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106031702
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650
3-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389008
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 23349917
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082965
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine (CID 106082972) is 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine is CNCCCN(C)S(=O)(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine?
The InChIKey is IVJQLYSZDVLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-8-9(2)13-14-10(12-8)15-19(17,18)16(4)7-5-6-11-3/h11H,5-7H2,1-4H3,(H,12,14,15).
What are the key properties of 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine?
5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine has a molecular weight of 288.38 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,4-triazine is sourced from PubChem (CID 106082972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).