1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

C8H13N3O — CID 126978879

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCCn1ncnc1C1(O)CCC1
InChIInChI=1S/C8H13N3O/c1-2-11-7(9-6-10-11)8(12)4-3-5-8/h6,12H,2-5H2,1H3
InChIKeyIOXINEAXLQUZBP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.67
Rot. Bonds2

About 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (PubChem CID 126978879) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
PubChem CID126978879
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCCn1ncnc1C1(O)CCC1
InChIInChI=1S/C8H13N3O/c1-2-11-7(9-6-10-11)8(12)4-3-5-8/h6,12H,2-5H2,1H3
InChIKeyIOXINEAXLQUZBP-UHFFFAOYSA-N
XLogP0.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol
CID 112743911
5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole
CID 130530052
8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
CID 114819655
1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451871
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 130530173
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976754
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 174742689
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 115455596
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580542
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (CID 126978879) is 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is CCn1ncnc1C1(O)CCC1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The InChIKey is IOXINEAXLQUZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-11-7(9-6-10-11)8(12)4-3-5-8/h6,12H,2-5H2,1H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 126978879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).