1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide

C11H13N5O2S — CID 114387248

IUPAC1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide
SMILESNCc1ccccc1CS(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H13N5O2S/c12-7-9-3-1-2-4-10(9)8-19(17,18)16-11-13-5-6-14-15-11/h1-6H,7-8,12H2,(H,13,15,16)
InChIKeyPZOHSUIVHWZTRS-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.27
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide (PubChem CID 114387248) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide
PubChem CID114387248
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide
SMILESNCc1ccccc1CS(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H13N5O2S/c12-7-9-3-1-2-4-10(9)8-19(17,18)16-11-13-5-6-14-15-11/h1-6H,7-8,12H2,(H,13,15,16)
InChIKeyPZOHSUIVHWZTRS-UHFFFAOYSA-N
XLogP0.27
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255
2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 107652546
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211650
4-[[2-(aminomethyl)phenyl]methylsulfonylamino]butanamide
CID 60865393
1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide
CID 43543616
2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386899
3-chloro-2-methyl-N-(1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389018
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide (CID 114387248) is 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide is NCc1ccccc1CS(=O)(=O)Nc1nccnn1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide?
The InChIKey is PZOHSUIVHWZTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-7-9-3-1-2-4-10(9)8-19(17,18)16-11-13-5-6-14-15-11/h1-6H,7-8,12H2,(H,13,15,16).
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide is sourced from PubChem (CID 114387248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).