1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide

C11H16N6O3S — CID 131647944

IUPAC1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nnn2c1COC(CNS(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C11H16N6O3S/c1-8-10-6-20-9(4-17(10)15-14-8)3-13-21(18,19)11-5-16(2)7-12-11/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyKWVKJLCJHDKYIH-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.80
Rot. Bonds4

About 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide (PubChem CID 131647944) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide
PubChem CID131647944
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nnn2c1COC(CNS(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C11H16N6O3S/c1-8-10-6-20-9(4-17(10)15-14-8)3-13-21(18,19)11-5-16(2)7-12-11/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyKWVKJLCJHDKYIH-UHFFFAOYSA-N
XLogP-0.80
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
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CID 62541638
N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide
CID 97391347
1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 131663207
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
CID 131647206
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 126921587
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-methylimidazole-4-sulfonamide
CID 114758687
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100751661
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide (CID 131647944) is 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide is Cc1nnn2c1COC(CNS(=O)(=O)c1cn(C)cn1)C2.
What is the InChIKey of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is KWVKJLCJHDKYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-8-10-6-20-9(4-17(10)15-14-8)3-13-21(18,19)11-5-16(2)7-12-11/h5,7,9,13H,3-4,6H2,1-2H3.
What are the key properties of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 131647944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).