N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide

C12H18N6O2S — CID 114388857

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2nnc(CC)c(CC)n2)[nH]1
InChIInChI=1S/C12H18N6O2S/c1-4-8-9(5-2)16-17-12(14-8)18-21(19,20)11-7-13-10(6-3)15-11/h7H,4-6H2,1-3H3,(H,13,15)(H,14,17,18)
InChIKeyKTMYIFPQGSIELN-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.08
Rot. Bonds6

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 114388857) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID114388857
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2nnc(CC)c(CC)n2)[nH]1
InChIInChI=1S/C12H18N6O2S/c1-4-8-9(5-2)16-17-12(14-8)18-21(19,20)11-7-13-10(6-3)15-11/h7H,4-6H2,1-3H3,(H,13,15)(H,14,17,18)
InChIKeyKTMYIFPQGSIELN-UHFFFAOYSA-N
XLogP1.08
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388862
2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114387378
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799125
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103586974
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79503404
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103144766
N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 83087161

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 114388857) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2nnc(CC)c(CC)n2)[nH]1.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is KTMYIFPQGSIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-4-8-9(5-2)16-17-12(14-8)18-21(19,20)11-7-13-10(6-3)15-11/h7H,4-6H2,1-3H3,(H,13,15)(H,14,17,18).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114388857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).