1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol

C11H19N3O — CID 154734002

IUPAC1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol
SMILESCCc1nc(CC)n(CC2(O)CCC2)n1
InChIInChI=1S/C11H19N3O/c1-3-9-12-10(4-2)14(13-9)8-11(15)6-5-7-11/h15H,3-8H2,1-2H3
InChIKeyCEGAWNSYFHEGCM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.32
Rot. Bonds4

About 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol

1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol (PubChem CID 154734002) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol
PubChem CID154734002
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol
SMILESCCc1nc(CC)n(CC2(O)CCC2)n1
InChIInChI=1S/C11H19N3O/c1-3-9-12-10(4-2)14(13-9)8-11(15)6-5-7-11/h15H,3-8H2,1-2H3
InChIKeyCEGAWNSYFHEGCM-UHFFFAOYSA-N
XLogP1.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955
1-[1-(2-Ethyl-4,4,4-trifluorobutyl)-1,2,4-triazol-3-yl]cyclobutan-1-ol
CID 167992541
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
3-(1-Ethyl-1,2,4-triazol-3-yl)pentan-3-ol
CID 89334364
1-(4-Methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
CID 143815071
1-(2,5-Dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol
CID 145643945
2-(5-Tert-butyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 156271498
1-[3-Bromo-5-(2-cyclopropylethyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
CID 160915947
2-(2-Ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 163231896
2-(2-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 163231929

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol (CID 154734002) is 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol is CCc1nc(CC)n(CC2(O)CCC2)n1.
What is the InChIKey of 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol?
The InChIKey is CEGAWNSYFHEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9-12-10(4-2)14(13-9)8-11(15)6-5-7-11/h15H,3-8H2,1-2H3.
What are the key properties of 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol?
1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 154734002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).