(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol

C9H15N3O2 — CID 114686777

IUPAC(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
SMILESCOC1(C(O)c2cnnn2C)CCC1
InChIInChI=1S/C9H15N3O2/c1-12-7(6-10-11-12)8(13)9(14-2)4-3-5-9/h6,8,13H,3-5H2,1-2H3
InChIKeySDSGXCWDYCKOTR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.42
Rot. Bonds3

About (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol

(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114686777) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114686777
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
SMILESCOC1(C(O)c2cnnn2C)CCC1
InChIInChI=1S/C9H15N3O2/c1-12-7(6-10-11-12)8(13)9(14-2)4-3-5-9/h6,8,13H,3-5H2,1-2H3
InChIKeySDSGXCWDYCKOTR-UHFFFAOYSA-N
XLogP0.42
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)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

(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
[(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105270277
(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
CID 114213130
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol
CID 130508959
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol
CID 107192940
(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755712
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
CID 114686845

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol (CID 114686777) is (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol is COC1(C(O)c2cnnn2C)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is SDSGXCWDYCKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-7(6-10-11-12)8(13)9(14-2)4-3-5-9/h6,8,13H,3-5H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol?
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 197.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114686777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).