5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid

C7H10N4O3 — CID 3514778

IUPAC5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nn1cnnc1
InChIInChI=1S/C7H10N4O3/c12-6(2-1-3-7(13)14)10-11-4-8-9-5-11/h4-5H,1-3H2,(H,10,12)(H,13,14)
InChIKeyVMUQCTXHJLOGFO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.40
Rot. Bonds5

About 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid

5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid (PubChem CID 3514778) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid
PubChem CID3514778
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nn1cnnc1
InChIInChI=1S/C7H10N4O3/c12-6(2-1-3-7(13)14)10-11-4-8-9-5-11/h4-5H,1-3H2,(H,10,12)(H,13,14)
InChIKeyVMUQCTXHJLOGFO-UHFFFAOYSA-N
XLogP-0.40
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid (CID 3514778) is 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid is O=C(O)CCCC(=O)Nn1cnnc1.
What is the InChIKey of 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid?
The InChIKey is VMUQCTXHJLOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6(2-1-3-7(13)14)10-11-4-8-9-5-11/h4-5H,1-3H2,(H,10,12)(H,13,14).
What are the key properties of 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid?
5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid is sourced from PubChem (CID 3514778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).