1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide

C9H13N5O2S — CID 114387968

IUPAC1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C9H13N5O2S/c1-4-8(5-10)17(15,16)14-9-11-6(2)7(3)12-13-9/h8H,4H2,1-3H3,(H,11,13,14)
InChIKeyUSNXBHFYGALUHO-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.53
Rot. Bonds4

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

1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide (PubChem CID 114387968) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
PubChem CID114387968
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C9H13N5O2S/c1-4-8(5-10)17(15,16)14-9-11-6(2)7(3)12-13-9/h8H,4H2,1-3H3,(H,11,13,14)
InChIKeyUSNXBHFYGALUHO-UHFFFAOYSA-N
XLogP0.53
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424
5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 114383143
N-(5-amino-2,4-dimethylphenyl)-1-cyanopropane-1-sulfonamide
CID 104757207
1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)propane-1-sulfonamide
CID 106954583
N-(2-bromo-5-methylphenyl)-1-cyanopropane-1-sulfonamide
CID 82757404
1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 103850460
3-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389008
3-chloro-4-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 104826727
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
CID 104826733
3-[4-(1-cyanopropylsulfonylamino)phenyl]prop-2-enoic acid
CID 77071987
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106082947
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082965

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide (CID 114387968) is 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide?
The InChIKey is USNXBHFYGALUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-4-8(5-10)17(15,16)14-9-11-6(2)7(3)12-13-9/h8H,4H2,1-3H3,(H,11,13,14).
What are the key properties of 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide?
1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 114387968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).