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

C11H19N3O2 — CID 103167576

IUPAC[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2C)C1
InChIInChI=1S/C11H19N3O2/c1-3-16-9-4-8(5-9)6-10-12-13-11(7-15)14(10)2/h8-9,15H,3-7H2,1-2H3
InChIKeyDJNVPOXHYIJUGN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.67
Rot. Bonds5

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

[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103167576) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID103167576
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2C)C1
InChIInChI=1S/C11H19N3O2/c1-3-16-9-4-8(5-9)6-10-12-13-11(7-15)14(10)2/h8-9,15H,3-7H2,1-2H3
InChIKeyDJNVPOXHYIJUGN-UHFFFAOYSA-N
XLogP0.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 103167576) is [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is CCOC1CC(Cc2nnc(CO)n2C)C1.
What is the InChIKey of [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is DJNVPOXHYIJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-9-4-8(5-9)6-10-12-13-11(7-15)14(10)2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 0.67, 5 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-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).