5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride

C10H16ClN3O3S — CID 103167671

IUPAC5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCCOC1CC(Cc2nnc(S(=O)(=O)Cl)n2C)C1
InChIInChI=1S/C10H16ClN3O3S/c1-3-17-8-4-7(5-8)6-9-12-13-10(14(9)2)18(11,15)16/h7-8H,3-6H2,1-2H3
InChIKeyNQSAENPBXZXPFZ-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.10
Rot. Bonds5

About 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride

5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 103167671) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride
PubChem CID103167671
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCCOC1CC(Cc2nnc(S(=O)(=O)Cl)n2C)C1
InChIInChI=1S/C10H16ClN3O3S/c1-3-17-8-4-7(5-8)6-9-12-13-10(14(9)2)18(11,15)16/h7-8H,3-6H2,1-2H3
InChIKeyNQSAENPBXZXPFZ-UHFFFAOYSA-N
XLogP1.10
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-5-(3-methoxycyclobutyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165488396
5-(3-methoxycyclobutyl)-4-methyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165873174
5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 103167656
5-(Cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103167658
5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103167659
5-[(3-Ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 103167661
4-Cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103167663
4-Tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103167665
5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 103167667
5-(Cyclobutylmethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 103167668
5-[(3-Ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 103167669
5-(Cyclobutylmethyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 103167670

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride (CID 103167671) is 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride is CCOC1CC(Cc2nnc(S(=O)(=O)Cl)n2C)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is NQSAENPBXZXPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-3-17-8-4-7(5-8)6-9-12-13-10(14(9)2)18(11,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride?
5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 293.78 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 103167671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).