(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide

C11H13N5O — CID 54991404

IUPAC(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C11H13N5O/c1-8(12)11(17)14-9-4-2-3-5-10(9)16-7-6-13-15-16/h2-8H,12H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyDBQAMCVIZCQCKV-MRVPVSSYSA-N
MW231.26 g/mol
LogP0.55
Rot. Bonds3

About (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide

(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide (PubChem CID 54991404) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
PubChem CID54991404
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C11H13N5O/c1-8(12)11(17)14-9-4-2-3-5-10(9)16-7-6-13-15-16/h2-8H,12H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyDBQAMCVIZCQCKV-MRVPVSSYSA-N
XLogP0.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide 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

(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
CID 103737699
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
N-(1-methylsulfonylpropan-2-yl)-2-(triazol-1-yl)aniline
CID 64630327
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 104741177
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
1-[2-(sulfamoylamino)phenyl]triazole
CID 112573317
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide (CID 54991404) is (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccccc1-n1ccnn1.
What is the InChIKey of (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide?
The InChIKey is DBQAMCVIZCQCKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(12)11(17)14-9-4-2-3-5-10(9)16-7-6-13-15-16/h2-8H,12H2,1H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide?
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide has a molecular weight of 231.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 54991404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).