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

C8H12N6O2S — CID 103943227

IUPAC2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)c2ncn[nH]2)[nH]1
InChIInChI=1S/C8H12N6O2S/c1-5(8-10-4-11-13-8)14-17(15,16)7-3-9-6(2)12-7/h3-5,14H,1-2H3,(H,9,12)(H,10,11,13)
InChIKeyMINMTRBQWJHIHF-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.12
Rot. Bonds4

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

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 103943227) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID103943227
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)c2ncn[nH]2)[nH]1
InChIInChI=1S/C8H12N6O2S/c1-5(8-10-4-11-13-8)14-17(15,16)7-3-9-6(2)12-7/h3-5,14H,1-2H3,(H,9,12)(H,10,11,13)
InChIKeyMINMTRBQWJHIHF-UHFFFAOYSA-N
XLogP-0.12
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314
N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
3,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 103885361
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106282276
2,5-dibromo-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943221
1,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 103885464
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide (CID 103943227) is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC(C)c2ncn[nH]2)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is MINMTRBQWJHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-5(8-10-4-11-13-8)14-17(15,16)7-3-9-6(2)12-7/h3-5,14H,1-2H3,(H,9,12)(H,10,11,13).
What are the key properties of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103943227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).