3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine

C8H14N4O — CID 107044452

IUPAC3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine
SMILESCn1cc(COC2CC(N)C2)nn1
InChIInChI=1S/C8H14N4O/c1-12-4-7(10-11-12)5-13-8-2-6(9)3-8/h4,6,8H,2-3,5,9H2,1H3
InChIKeyMFRWGJXNPKQLJG-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.18
Rot. Bonds3

About 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine

3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine (PubChem CID 107044452) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine
PubChem CID107044452
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine
SMILESCn1cc(COC2CC(N)C2)nn1
InChIInChI=1S/C8H14N4O/c1-12-4-7(10-11-12)5-13-8-2-6(9)3-8/h4,6,8H,2-3,5,9H2,1H3
InChIKeyMFRWGJXNPKQLJG-UHFFFAOYSA-N
XLogP-0.18
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1-methyltriazol-4-yl)methoxy]cyclobutyl]methanamine
CID 107044450
4-[(1-methyltriazol-4-yl)methoxy]cyclohexan-1-amine
CID 107041689
(2S,4R)-4-[(1-methyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid
CID 59188307
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
CID 87414714
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-methyl-4-[(3-methylazetidin-3-yl)oxymethyl]triazole
CID 107044463
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine (CID 107044452) is 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine is Cn1cc(COC2CC(N)C2)nn1.
What is the InChIKey of 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine?
The InChIKey is MFRWGJXNPKQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-4-7(10-11-12)5-13-8-2-6(9)3-8/h4,6,8H,2-3,5,9H2,1H3.
What are the key properties of 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine?
3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine has a molecular weight of 182.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 107044452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).