cyclobutyl-(3-methyltriazol-4-yl)methanone

C8H11N3O — CID 114685839

IUPACcyclobutyl-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1CCC1
InChIInChI=1S/C8H11N3O/c1-11-7(5-9-10-11)8(12)6-3-2-4-6/h5-6H,2-4H2,1H3
InChIKeyVHACGTGKEOTRJH-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.80
Rot. Bonds2

About cyclobutyl-(3-methyltriazol-4-yl)methanone

cyclobutyl-(3-methyltriazol-4-yl)methanone (PubChem CID 114685839) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is cyclobutyl-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-methyltriazol-4-yl)methanone
PubChem CID114685839
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Namecyclobutyl-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1CCC1
InChIInChI=1S/C8H11N3O/c1-11-7(5-9-10-11)8(12)6-3-2-4-6/h5-6H,2-4H2,1H3
InChIKeyVHACGTGKEOTRJH-UHFFFAOYSA-N
XLogP0.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-(3-methyltriazol-4-yl)methanone 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

(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 114685879
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone
CID 114686193
(3-methyltriazol-4-yl)-(oxan-2-yl)methanone
CID 115806840
3-methyltriazole-4-carbonyl chloride
CID 119095890
(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methyltriazol-4-yl)methanone
CID 114686152
2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
CID 114691892
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone
CID 122171286
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 100694661
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone
CID 103449684

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-methyltriazol-4-yl)methanone?
The IUPAC name of cyclobutyl-(3-methyltriazol-4-yl)methanone (CID 114685839) is cyclobutyl-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for cyclobutyl-(3-methyltriazol-4-yl)methanone is Cn1nncc1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(3-methyltriazol-4-yl)methanone?
The InChIKey is VHACGTGKEOTRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-7(5-9-10-11)8(12)6-3-2-4-6/h5-6H,2-4H2,1H3.
What are the key properties of cyclobutyl-(3-methyltriazol-4-yl)methanone?
cyclobutyl-(3-methyltriazol-4-yl)methanone has a molecular weight of 165.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 114685839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).