(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide

C12H15N5O — CID 79025471

IUPAC(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C12H15N5O/c1-2-9(13)12(18)15-10-5-3-4-6-11(10)17-8-7-14-16-17/h3-9H,2,13H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyMYBMDJIAQWRBNG-VIFPVBQESA-N
MW245.29 g/mol
LogP0.94
Rot. Bonds4

About (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide

(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide (PubChem CID 79025471) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
PubChem CID79025471
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C12H15N5O/c1-2-9(13)12(18)15-10-5-3-4-6-11(10)17-8-7-14-16-17/h3-9H,2,13H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyMYBMDJIAQWRBNG-VIFPVBQESA-N
XLogP0.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
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
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
N-(1-methylsulfonylpropan-2-yl)-2-(triazol-1-yl)aniline
CID 64630327
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide (CID 79025471) is (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide is CC[C@H](N)C(=O)Nc1ccccc1-n1ccnn1.
What is the InChIKey of (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide?
The InChIKey is MYBMDJIAQWRBNG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-9(13)12(18)15-10-5-3-4-6-11(10)17-8-7-14-16-17/h3-9H,2,13H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide?
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide has a molecular weight of 245.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 79025471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).