2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide

C9H14N8O2S — CID 80786835

IUPAC2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(N)(=O)=O)nc(-n2cccn2)n1
InChIInChI=1S/C9H14N8O2S/c1-11-7-14-8(12-4-6-20(10,18)19)16-9(15-7)17-5-2-3-13-17/h2-3,5H,4,6H2,1H3,(H2,10,18,19)(H2,11,12,14,15,16)
InChIKeyWGAARMWWAZIXCX-UHFFFAOYSA-N
MW298.33 g/mol
LogP-1.20
Rot. Bonds6

About 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide

2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide (PubChem CID 80786835) has the molecular formula C9H14N8O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
PubChem CID80786835
Molecular FormulaC9H14N8O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(N)(=O)=O)nc(-n2cccn2)n1
InChIInChI=1S/C9H14N8O2S/c1-11-7-14-8(12-4-6-20(10,18)19)16-9(15-7)17-5-2-3-13-17/h2-3,5H,4,6H2,1H3,(H2,10,18,19)(H2,11,12,14,15,16)
InChIKeyWGAARMWWAZIXCX-UHFFFAOYSA-N
XLogP-1.20
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide 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

4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106434069
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80796786
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80773807
methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80777731
4-N-methyl-6-pyrazol-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772976
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813787
ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80789345
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide (CID 80786835) is 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide is CNc1nc(NCCS(N)(=O)=O)nc(-n2cccn2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The InChIKey is WGAARMWWAZIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O2S/c1-11-7-14-8(12-4-6-20(10,18)19)16-9(15-7)17-5-2-3-13-17/h2-3,5H,4,6H2,1H3,(H2,10,18,19)(H2,11,12,14,15,16).
What are the key properties of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide has a molecular weight of 298.33 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80786835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).