5-(azetidin-2-yl)-1-methyltriazole

C6H10N4 — CID 130959405

IUPAC5-(azetidin-2-yl)-1-methyltriazole
SMILESCn1nncc1C1CCN1
InChIInChI=1S/C6H10N4/c1-10-6(4-8-9-10)5-2-3-7-5/h4-5,7H,2-3H2,1H3
InChIKeyMGWRCMQVXYVQEY-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.15
Rot. Bonds1

About 5-(azetidin-2-yl)-1-methyltriazole

5-(azetidin-2-yl)-1-methyltriazole (PubChem CID 130959405) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(azetidin-2-yl)-1-methyltriazole.

Molecular Properties

Compound Name5-(azetidin-2-yl)-1-methyltriazole
PubChem CID130959405
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-(azetidin-2-yl)-1-methyltriazole
SMILESCn1nncc1C1CCN1
InChIInChI=1S/C6H10N4/c1-10-6(4-8-9-10)5-2-3-7-5/h4-5,7H,2-3H2,1H3
InChIKeyMGWRCMQVXYVQEY-UHFFFAOYSA-N
XLogP-0.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(azetidin-2-yl)-1-methyltriazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-2-yl)-1-methyltriazole?
The IUPAC name of 5-(azetidin-2-yl)-1-methyltriazole (CID 130959405) is 5-(azetidin-2-yl)-1-methyltriazole.
What is the SMILES notation for 5-(azetidin-2-yl)-1-methyltriazole?
The canonical SMILES for 5-(azetidin-2-yl)-1-methyltriazole is Cn1nncc1C1CCN1.
What is the InChIKey of 5-(azetidin-2-yl)-1-methyltriazole?
The InChIKey is MGWRCMQVXYVQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-10-6(4-8-9-10)5-2-3-7-5/h4-5,7H,2-3H2,1H3.
What are the key properties of 5-(azetidin-2-yl)-1-methyltriazole?
5-(azetidin-2-yl)-1-methyltriazole has a molecular weight of 138.17 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-2-yl)-1-methyltriazole is sourced from PubChem (CID 130959405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).