3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

C10H17N7O2S — CID 106064166

IUPAC3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCCc1nncn1C
InChIInChI=1S/C10H17N7O2S/c1-7-10(8(5-11)15-14-7)20(18,19)13-4-3-9-16-12-6-17(9)2/h6,13H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyQITVYIXRYGNPQQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP-1.17
Rot. Bonds6

About 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106064166) has the molecular formula C10H17N7O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID106064166
Molecular FormulaC10H17N7O2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC Name3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCCc1nncn1C
InChIInChI=1S/C10H17N7O2S/c1-7-10(8(5-11)15-14-7)20(18,19)13-4-3-9-16-12-6-17(9)2/h6,13H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyQITVYIXRYGNPQQ-UHFFFAOYSA-N
XLogP-1.17
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106018151
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-amino-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332490
3-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106094251
1-[4-(aminomethyl)phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 63330283
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133
3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
CID 107818668
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332267
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106018303

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 106064166) is 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NCCc1nncn1C.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QITVYIXRYGNPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2S/c1-7-10(8(5-11)15-14-7)20(18,19)13-4-3-9-16-12-6-17(9)2/h6,13H,3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of -1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106064166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).