2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide

C8H11F2N5O — CID 175864398

IUPAC2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide
SMILESNC(=O)c1cnn(CCN2CC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N5O/c9-8(10)4-14(5-8)1-2-15-12-3-6(13-15)7(11)16/h3H,1-2,4-5H2,(H2,11,16)
InChIKeyDDHXNCXTCJQLNY-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.67
Rot. Bonds4

About 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide

2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide (PubChem CID 175864398) has the molecular formula C8H11F2N5O and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide
PubChem CID175864398
Molecular FormulaC8H11F2N5O
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Name2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide
SMILESNC(=O)c1cnn(CCN2CC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N5O/c9-8(10)4-14(5-8)1-2-15-12-3-6(13-15)7(11)16/h3H,1-2,4-5H2,(H2,11,16)
InChIKeyDDHXNCXTCJQLNY-UHFFFAOYSA-N
XLogP-0.67
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide 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 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide (CID 175864398) is 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide is NC(=O)c1cnn(CCN2CC(F)(F)C2)n1.
What is the InChIKey of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide?
The InChIKey is DDHXNCXTCJQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N5O/c9-8(10)4-14(5-8)1-2-15-12-3-6(13-15)7(11)16/h3H,1-2,4-5H2,(H2,11,16).
What are the key properties of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide?
2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide has a molecular weight of 231.21 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 175864398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).