3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid

C6H8N4O4 — CID 63648096

IUPAC3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ncn[nH]1
InChIInChI=1S/C6H8N4O4/c11-1-3(6(13)14)9-5(12)4-7-2-8-10-4/h2-3,11H,1H2,(H,9,12)(H,13,14)(H,7,8,10)
InChIKeyVCLZBXKUIIKBQK-UHFFFAOYSA-N
MW200.15 g/mol
LogP-2.02
Rot. Bonds4

About 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid

3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid (PubChem CID 63648096) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
PubChem CID63648096
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ncn[nH]1
InChIInChI=1S/C6H8N4O4/c11-1-3(6(13)14)9-5(12)4-7-2-8-10-4/h2-3,11H,1H2,(H,9,12)(H,13,14)(H,7,8,10)
InChIKeyVCLZBXKUIIKBQK-UHFFFAOYSA-N
XLogP-2.02
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
(2R)-3-hydroxy-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283393
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990
(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 80757816
(2R)-3-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]propanoic acid
CID 80756005
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 107831797
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 59608109

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid (CID 63648096) is 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid is O=C(NC(CO)C(=O)O)c1ncn[nH]1.
What is the InChIKey of 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
The InChIKey is VCLZBXKUIIKBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c11-1-3(6(13)14)9-5(12)4-7-2-8-10-4/h2-3,11H,1H2,(H,9,12)(H,13,14)(H,7,8,10).
What are the key properties of 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid has a molecular weight of 200.15 g/mol, XLogP of -2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 63648096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).