[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol

C13H21N3O2 — CID 146135499

IUPAC[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol
SMILESCC1(Cn2cc(CC3(CO)CCC3)nn2)COC1
InChIInChI=1S/C13H21N3O2/c1-12(9-18-10-12)7-16-6-11(14-15-16)5-13(8-17)3-2-4-13/h6,17H,2-5,7-10H2,1H3
InChIKeyZCSANYLCKPYSSY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds5

About [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol

[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol (PubChem CID 146135499) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol
PubChem CID146135499
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol
SMILESCC1(Cn2cc(CC3(CO)CCC3)nn2)COC1
InChIInChI=1S/C13H21N3O2/c1-12(9-18-10-12)7-16-6-11(14-15-16)5-13(8-17)3-2-4-13/h6,17H,2-5,7-10H2,1H3
InChIKeyZCSANYLCKPYSSY-UHFFFAOYSA-N
XLogP1.02
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-[(1-methylcyclobutyl)methyl]triazole
CID 130601543
5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 136531426
[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
CID 167816168
1-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]cyclopentan-1-ol
CID 65212826
3-[4-[[(3-methyloxan-3-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 114113524
(5,5-dimethyl-3,4-dihydro-2H-1-benzazepin-1-yl)-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
CID 126784234
1-[(4-methyloxan-4-yl)methyl]triazol-4-amine
CID 165471753
N-(4-hydroxy-3,5-dimethylphenyl)-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 137205460
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol
CID 81131023
[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanol
CID 130592282

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol (CID 146135499) is [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol is CC1(Cn2cc(CC3(CO)CCC3)nn2)COC1.
What is the InChIKey of [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol?
The InChIKey is ZCSANYLCKPYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(9-18-10-12)7-16-6-11(14-15-16)5-13(8-17)3-2-4-13/h6,17H,2-5,7-10H2,1H3.
What are the key properties of [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol?
[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol is sourced from PubChem (CID 146135499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).