5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide

C12H22N4O3S — CID 103167683

IUPAC5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide
SMILESCCCn1c(CC2CC(OCC)C2)nnc1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-3-5-16-11(14-15-12(16)20(13,17)18)8-9-6-10(7-9)19-4-2/h9-10H,3-8H2,1-2H3,(H2,13,17,18)
InChIKeyLGAGSGNOHILSJR-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.69
Rot. Bonds7

About 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide

5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide (PubChem CID 103167683) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide
PubChem CID103167683
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide
SMILESCCCn1c(CC2CC(OCC)C2)nnc1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-3-5-16-11(14-15-12(16)20(13,17)18)8-9-6-10(7-9)19-4-2/h9-10H,3-8H2,1-2H3,(H2,13,17,18)
InChIKeyLGAGSGNOHILSJR-UHFFFAOYSA-N
XLogP0.69
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.69
H-Bond Donors ≤ 51
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-Ethoxycyclobutyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 103167636
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 103167648
[5-[(3-Ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 103167650
[5-[(3-Ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 103167652
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-[(3-Ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 103167669

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide (CID 103167683) is 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide is CCCn1c(CC2CC(OCC)C2)nnc1S(N)(=O)=O.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is LGAGSGNOHILSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-3-5-16-11(14-15-12(16)20(13,17)18)8-9-6-10(7-9)19-4-2/h9-10H,3-8H2,1-2H3,(H2,13,17,18).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide?
5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103167683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).