[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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Related Compounds

3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
CID 103164453
5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1H-1,2,4-triazole-3-thione
CID 103164464
4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103167663
3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103170900
ethyl (2R)-2-[[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidine-1-carbonyl]amino]propanoate
CID 95147343
[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 103167107
3-[(3-ethoxycyclobutyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 103164455
3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid
CID 103167363
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
CID 103164213
N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 103167285
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 50954014

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).