[5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol

C12H21N3O2 — CID 103167573

IUPAC[5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2CC)C1
InChIInChI=1S/C12H21N3O2/c1-3-15-11(13-14-12(15)8-16)7-9-5-10(6-9)17-4-2/h9-10,16H,3-8H2,1-2H3
InChIKeyUJBAXETZEYDQSX-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.15
Rot. Bonds6

About [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103167573) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID103167573
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2CC)C1
InChIInChI=1S/C12H21N3O2/c1-3-15-11(13-14-12(15)8-16)7-9-5-10(6-9)17-4-2/h9-10,16H,3-8H2,1-2H3
InChIKeyUJBAXETZEYDQSX-UHFFFAOYSA-N
XLogP1.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
2-[3-cyclopentyl-5-(1-isopropoxyethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 74249979
[5-Heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 82995518
(4-Ethyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995674
(5-Heptan-4-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 82995675
[5-Heptan-4-yl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82995749
2-[3-cyclopentyl-5-[(1S)-1-propan-2-yloxyethyl]-1,2,4-triazol-1-yl]ethanol
CID 97940611
2-[3-cyclopentyl-5-[(1R)-1-propan-2-yloxyethyl]-1,2,4-triazol-1-yl]ethanol
CID 97940612
[5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167566
[5-(Cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167567
[5-(Cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103167568
[4-Cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167569

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 103167573) is [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol is CCOC1CC(Cc2nnc(CO)n2CC)C1.
What is the InChIKey of [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UJBAXETZEYDQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-15-11(13-14-12(15)8-16)7-9-5-10(6-9)17-4-2/h9-10,16H,3-8H2,1-2H3.
What are the key properties of [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).