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

C10H16ClN3O3S — CID 103558706

IUPAC4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(CC2(OC)CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H16ClN3O3S/c1-3-14-8(7-10(17-2)5-4-6-10)12-13-9(14)18(11,15)16/h3-7H2,1-2H3
InChIKeyDVYMGAQNEHJLNR-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.34
Rot. Bonds5

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

4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 103558706) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
PubChem CID103558706
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(CC2(OC)CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H16ClN3O3S/c1-3-14-8(7-10(17-2)5-4-6-10)12-13-9(14)18(11,15)16/h3-7H2,1-2H3
InChIKeyDVYMGAQNEHJLNR-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride (CID 103558706) is 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride is CCn1c(CC2(OC)CCC2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is DVYMGAQNEHJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-3-14-8(7-10(17-2)5-4-6-10)12-13-9(14)18(11,15)16/h3-7H2,1-2H3.
What are the key properties of 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride?
4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 293.78 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 103558706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).