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

C8H11N3O2 — CID 114685879

IUPAC(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
SMILESCn1nncc1C(=O)C1CCOC1
InChIInChI=1S/C8H11N3O2/c1-11-7(4-9-10-11)8(12)6-2-3-13-5-6/h4,6H,2-3,5H2,1H3
InChIKeyRVGYZGSILYEHQI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.03
Rot. Bonds2

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

(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone (PubChem CID 114685879) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
PubChem CID114685879
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
SMILESCn1nncc1C(=O)C1CCOC1
InChIInChI=1S/C8H11N3O2/c1-11-7(4-9-10-11)8(12)6-2-3-13-5-6/h4,6H,2-3,5H2,1H3
InChIKeyRVGYZGSILYEHQI-UHFFFAOYSA-N
XLogP0.03
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyltriazol-4-yl)-(oxolan-3-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

cyclobutyl-(3-methyltriazol-4-yl)methanone
CID 114685839
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
(5-bromo-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
CID 131204047
(3-methyltriazol-4-yl)-(oxan-2-yl)methanone
CID 115806840
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 130521398
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone
CID 114686193
3-methyltriazole-4-carbonyl chloride
CID 119095890
(3-methyltriazol-4-yl)-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138016799
(6-bromo-1-methylbenzimidazol-2-yl)-(oxolan-3-yl)methanone
CID 166644519
5-bromo-1,3-dimethyl-6-(oxolane-3-carbonyl)benzimidazol-2-one
CID 62351836
(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
CID 126976704

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone (CID 114685879) is (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone is Cn1nncc1C(=O)C1CCOC1.
What is the InChIKey of (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
The InChIKey is RVGYZGSILYEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-7(4-9-10-11)8(12)6-2-3-13-5-6/h4,6H,2-3,5H2,1H3.
What are the key properties of (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone?
(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 114685879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).