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

C8H12N6O2S — CID 64531508

IUPAC2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2ncn[nH]2)[nH]1
InChIInChI=1S/C8H12N6O2S/c1-6-9-4-8(13-6)17(15,16)12-3-2-7-10-5-11-14-7/h4-5,12H,2-3H2,1H3,(H,9,13)(H,10,11,14)
InChIKeyCUARAHHHORPKMB-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.64
Rot. Bonds5

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

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 64531508) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID64531508
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2ncn[nH]2)[nH]1
InChIInChI=1S/C8H12N6O2S/c1-6-9-4-8(13-6)17(15,16)12-3-2-7-10-5-11-14-7/h4-5,12H,2-3H2,1H3,(H,9,13)(H,10,11,14)
InChIKeyCUARAHHHORPKMB-UHFFFAOYSA-N
XLogP-0.64
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide (CID 64531508) is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCc2ncn[nH]2)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is CUARAHHHORPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-6-9-4-8(13-6)17(15,16)12-3-2-7-10-5-11-14-7/h4-5,12H,2-3H2,1H3,(H,9,13)(H,10,11,14).
What are the key properties of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 64531508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).