N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide

C8H14N4O2 — CID 65806665

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide
SMILESC[C@@H](CO)NC(=O)CCN1C=CN=N1
InChIInChI=1S/C8H14N4O2/c1-7(6-13)10-8(14)2-4-12-5-3-9-11-12/h3,5,7,13H,2,4,6H2,1H3,(H,10,14)/t7-/m0/s1
InChIKeyCGKITOSJEWUKRN-ZETCQYMHSA-N
MW198.22 g/mol
LogP-1.40
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide

N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide (PubChem CID 65806665) has the molecular formula C8H14N4O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide
PubChem CID65806665
Molecular FormulaC8H14N4O2
Molecular Weight198.22 g/mol
Exact Mass198.11
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide
SMILESC[C@@H](CO)NC(=O)CCN1C=CN=N1
InChIInChI=1S/C8H14N4O2/c1-7(6-13)10-8(14)2-4-12-5-3-9-11-12/h3,5,7,13H,2,4,6H2,1H3,(H,10,14)/t7-/m0/s1
InChIKeyCGKITOSJEWUKRN-ZETCQYMHSA-N
XLogP-1.40
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide 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 N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide (CID 65806665) is N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide is C[C@@H](CO)NC(=O)CCN1C=CN=N1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide?
The InChIKey is CGKITOSJEWUKRN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-7(6-13)10-8(14)2-4-12-5-3-9-11-12/h3,5,7,13H,2,4,6H2,1H3,(H,10,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide has a molecular weight of 198.22 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 65806665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).