5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride

C10H14ClN5O2S — CID 103512436

IUPAC5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCC(C)Cn1c(-c2cncn2C)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClN5O2S/c1-7(2)5-16-9(8-4-12-6-15(8)3)13-14-10(16)19(11,17)18/h4,6-7H,5H2,1-3H3
InChIKeyKYONEWMUBWROHH-UHFFFAOYSA-N
MW303.78 g/mol
LogP1.26
Rot. Bonds4

About 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride

5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 103512436) has the molecular formula C10H14ClN5O2S and a molecular weight of 303.78 g/mol. Its IUPAC name is 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID103512436
Molecular FormulaC10H14ClN5O2S
Molecular Weight303.78 g/mol
Exact Mass303.06
IUPAC Name5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCC(C)Cn1c(-c2cncn2C)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClN5O2S/c1-7(2)5-16-9(8-4-12-6-15(8)3)13-14-10(16)19(11,17)18/h4,6-7H,5H2,1-3H3
InChIKeyKYONEWMUBWROHH-UHFFFAOYSA-N
XLogP1.26
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 114219312
5-(3,5-dibromophenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107976241
5-(3-bicyclo[3.1.0]hexanyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366237
4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide
CID 103512439
2-[[4-ethyl-5-(3-methylimidazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 103511208
3-methylimidazole-4-sulfonyl chloride;hydrochloride
CID 87693928
5-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213812
5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
CID 113366514
5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104786819
5-(1-methylsulfonylethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 104523111
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107967425
4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 165462950

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride (CID 103512436) is 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride is CC(C)Cn1c(-c2cncn2C)nnc1S(=O)(=O)Cl.
What is the InChIKey of 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is KYONEWMUBWROHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2S/c1-7(2)5-16-9(8-4-12-6-15(8)3)13-14-10(16)19(11,17)18/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride?
5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 303.78 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 103512436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).