1-[(2R,3S)-2-methylazetidin-3-yl]triazole

C6H10N4 — CID 166547243

IUPAC1-[(2R,3S)-2-methylazetidin-3-yl]triazole
SMILESC[C@H]1NC[C@@H]1n1ccnn1
InChIInChI=1S/C6H10N4/c1-5-6(4-7-5)10-3-2-8-9-10/h2-3,5-7H,4H2,1H3/t5-,6+/m1/s1
InChIKeyGQIAKVZEUIFBJA-RITPCOANSA-N
MW138.17 g/mol
LogP-0.19
Rot. Bonds1

About 1-[(2R,3S)-2-methylazetidin-3-yl]triazole

1-[(2R,3S)-2-methylazetidin-3-yl]triazole (PubChem CID 166547243) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-[(2R,3S)-2-methylazetidin-3-yl]triazole.

Molecular Properties

Compound Name1-[(2R,3S)-2-methylazetidin-3-yl]triazole
PubChem CID166547243
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-[(2R,3S)-2-methylazetidin-3-yl]triazole
SMILESC[C@H]1NC[C@@H]1n1ccnn1
InChIInChI=1S/C6H10N4/c1-5-6(4-7-5)10-3-2-8-9-10/h2-3,5-7H,4H2,1H3/t5-,6+/m1/s1
InChIKeyGQIAKVZEUIFBJA-RITPCOANSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-methylazetidin-3-yl]triazole?
The IUPAC name of 1-[(2R,3S)-2-methylazetidin-3-yl]triazole (CID 166547243) is 1-[(2R,3S)-2-methylazetidin-3-yl]triazole.
What is the SMILES notation for 1-[(2R,3S)-2-methylazetidin-3-yl]triazole?
The canonical SMILES for 1-[(2R,3S)-2-methylazetidin-3-yl]triazole is C[C@H]1NC[C@@H]1n1ccnn1.
What is the InChIKey of 1-[(2R,3S)-2-methylazetidin-3-yl]triazole?
The InChIKey is GQIAKVZEUIFBJA-RITPCOANSA-N. The full InChI is InChI=1S/C6H10N4/c1-5-6(4-7-5)10-3-2-8-9-10/h2-3,5-7H,4H2,1H3/t5-,6+/m1/s1.
What are the key properties of 1-[(2R,3S)-2-methylazetidin-3-yl]triazole?
1-[(2R,3S)-2-methylazetidin-3-yl]triazole has a molecular weight of 138.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-methylazetidin-3-yl]triazole is sourced from PubChem (CID 166547243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).