2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide

C5H8N4O2 — CID 83768368

IUPAC2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-3(10)4(11)8-5-6-2-7-9-5/h2-3,10H,1H3,(H2,6,7,8,9,11)
InChIKeyOCWNVAKPDVTECS-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.88
Rot. Bonds2

About 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide

2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 83768368) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID83768368
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-3(10)4(11)8-5-6-2-7-9-5/h2-3,10H,1H3,(H2,6,7,8,9,11)
InChIKeyOCWNVAKPDVTECS-UHFFFAOYSA-N
XLogP-0.88
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 60740782
N-(1H-1,2,4-triazol-5-yl)propanamide
CID 18935602
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 79203629
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 79203630
2-hydroxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 83768266
(2S)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97030185
(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97030186
2-hydroxy-2-methyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
CID 103430270
3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide
CID 106174359
N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108521356
2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 112603270

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 83768368) is 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide is CC(O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is OCWNVAKPDVTECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3(10)4(11)8-5-6-2-7-9-5/h2-3,10H,1H3,(H2,6,7,8,9,11).
What are the key properties of 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 156.15 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 83768368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).