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

C13H23N3O3 — CID 103167566

IUPAC[5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2CCOC)C1
InChIInChI=1S/C13H23N3O3/c1-3-19-11-6-10(7-11)8-12-14-15-13(9-17)16(12)4-5-18-2/h10-11,17H,3-9H2,1-2H3
InChIKeyBYPKRZDDGPPBFC-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.77
Rot. Bonds8

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

[5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103167566) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103167566
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name[5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2CCOC)C1
InChIInChI=1S/C13H23N3O3/c1-3-19-11-6-10(7-11)8-12-14-15-13(9-17)16(12)4-5-18-2/h10-11,17H,3-9H2,1-2H3
InChIKeyBYPKRZDDGPPBFC-UHFFFAOYSA-N
XLogP0.77
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-dimethoxypropan-2-yl)-3-methyl-5-[(2S,5S)-5-methyloxolan-2-yl]-1,2,4-triazole
CID 132107239
3-Chloro-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole
CID 63384158
2-[3-cyclopentyl-5-(1-isopropoxyethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 74249979
[4-(2-Methoxyethyl)-5-(4-methylcyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81879632
[5-Heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 82995518
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-(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
[4-Tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167571
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167573

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 103167566) is [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is CCOC1CC(Cc2nnc(CO)n2CCOC)C1.
What is the InChIKey of [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is BYPKRZDDGPPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-19-11-6-10(7-11)8-12-14-15-13(9-17)16(12)4-5-18-2/h10-11,17H,3-9H2,1-2H3.
What are the key properties of [5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 0.77, 8 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-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).