2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol

C14H22N4O — CID 91345566

IUPAC2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol
SMILESOCCNC1(c2nnc(C3CC3)n2C2CC2)CCC1
InChIInChI=1S/C14H22N4O/c19-9-8-15-14(6-1-7-14)13-17-16-12(10-2-3-10)18(13)11-4-5-11/h10-11,15,19H,1-9H2
InChIKeyCAESEJUFYZVUQB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.45
Rot. Bonds6

About 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol

2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol (PubChem CID 91345566) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol
PubChem CID91345566
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol
SMILESOCCNC1(c2nnc(C3CC3)n2C2CC2)CCC1
InChIInChI=1S/C14H22N4O/c19-9-8-15-14(6-1-7-14)13-17-16-12(10-2-3-10)18(13)11-4-5-11/h10-11,15,19H,1-9H2
InChIKeyCAESEJUFYZVUQB-UHFFFAOYSA-N
XLogP1.45
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol?
The IUPAC name of 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol (CID 91345566) is 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol?
The canonical SMILES for 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol is OCCNC1(c2nnc(C3CC3)n2C2CC2)CCC1.
What is the InChIKey of 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol?
The InChIKey is CAESEJUFYZVUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-9-8-15-14(6-1-7-14)13-17-16-12(10-2-3-10)18(13)11-4-5-11/h10-11,15,19H,1-9H2.
What are the key properties of 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol?
2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol has a molecular weight of 262.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol is sourced from PubChem (CID 91345566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).