3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid

C7H10N4O3 — CID 67295267

IUPAC3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C7H10N4O3/c12-6(13)5-8-7(10-9-5)11-1-3-14-4-2-11/h1-4H2,(H,12,13)(H,8,9,10)
InChIKeyFDBFCEORKIGZOX-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.66
Rot. Bonds2

About 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid

3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 67295267) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid
PubChem CID67295267
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C7H10N4O3/c12-6(13)5-8-7(10-9-5)11-1-3-14-4-2-11/h1-4H2,(H,12,13)(H,8,9,10)
InChIKeyFDBFCEORKIGZOX-UHFFFAOYSA-N
XLogP-0.66
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid?
The IUPAC name of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid (CID 67295267) is 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid.
What is the SMILES notation for 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid?
The canonical SMILES for 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid is O=C(O)c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid?
The InChIKey is FDBFCEORKIGZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6(13)5-8-7(10-9-5)11-1-3-14-4-2-11/h1-4H2,(H,12,13)(H,8,9,10).
What are the key properties of 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid?
3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 67295267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).