2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide

C7H8N6O2S — CID 114388868

IUPAC2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nccnn2)[nH]1
InChIInChI=1S/C7H8N6O2S/c1-5-9-4-6(11-5)16(14,15)13-7-8-2-3-10-12-7/h2-4H,1H3,(H,9,11)(H,8,12,13)
InChIKeyFGJZBCYSUXBMMO-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.30
Rot. Bonds3

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

2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide (PubChem CID 114388868) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
PubChem CID114388868
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC Name2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nccnn2)[nH]1
InChIInChI=1S/C7H8N6O2S/c1-5-9-4-6(11-5)16(14,15)13-7-8-2-3-10-12-7/h2-4H,1H3,(H,9,11)(H,8,12,13)
InChIKeyFGJZBCYSUXBMMO-UHFFFAOYSA-N
XLogP-0.30
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine;hydrochloride
CID 69044723
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1H-imidazole-5-sulfonamide
CID 64116404
2-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 64147375
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine-1-sulfonamide
CID 64147499
1-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine
CID 64147773
2-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 64148044
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 64148514
2-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 64148515
2-ethyl-N-(1H-1,2,4-triazol-5-yl)-1H-imidazole-5-sulfonamide
CID 64149024
N-diazo-2-methyl-1H-imidazole-5-sulfonamide
CID 64149203
2-methyl-N-pyrazin-2-yl-1H-imidazole-5-sulfonamide
CID 64149839
2-ethyl-N-pyrazin-2-yl-1H-imidazole-5-sulfonamide
CID 64149840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide (CID 114388868) is 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2nccnn2)[nH]1.
What is the InChIKey of 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is FGJZBCYSUXBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c1-5-9-4-6(11-5)16(14,15)13-7-8-2-3-10-12-7/h2-4H,1H3,(H,9,11)(H,8,12,13).
What are the key properties of 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 240.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114388868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).