4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide

C9H12N6O2S — CID 103512439

IUPAC4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide
SMILESCn1cncc1-c1nnc(S(N)(=O)=O)n1C1CC1
InChIInChI=1S/C9H12N6O2S/c1-14-5-11-4-7(14)8-12-13-9(18(10,16)17)15(8)6-2-3-6/h4-6H,2-3H2,1H3,(H2,10,16,17)
InChIKeyMOQCBVQDSPCXDH-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.34
Rot. Bonds3

About 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide

4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 103512439) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID103512439
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide
SMILESCn1cncc1-c1nnc(S(N)(=O)=O)n1C1CC1
InChIInChI=1S/C9H12N6O2S/c1-14-5-11-4-7(14)8-12-13-9(18(10,16)17)15(8)6-2-3-6/h4-6H,2-3H2,1H3,(H2,10,16,17)
InChIKeyMOQCBVQDSPCXDH-UHFFFAOYSA-N
XLogP-0.34
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonamide
CID 113366348
5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103512436
4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 104673265
4-cyclopropyl-5-(2,4-dibromophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944168
ethyl 1-methyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-carboxylate
CID 103512045
4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine
CID 167955844
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266442
1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide
CID 81340861
4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110131743
3-cyclopropyl-2-propyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129550
4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
CID 113366365

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide (CID 103512439) is 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide is Cn1cncc1-c1nnc(S(N)(=O)=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is MOQCBVQDSPCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-14-5-11-4-7(14)8-12-13-9(18(10,16)17)15(8)6-2-3-6/h4-6H,2-3H2,1H3,(H2,10,16,17).
What are the key properties of 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide?
4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103512439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).