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

C7H10N4O3 — CID 12541816

IUPAC5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H10N4O3/c12-5(2-1-3-6(13)14)10-7-8-4-9-11-7/h4H,1-3H2,(H,13,14)(H2,8,9,10,11,12)
InChIKeyHFHUDNGUNSTECA-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.00
Rot. Bonds5

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

5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid (PubChem CID 12541816) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
PubChem CID12541816
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H10N4O3/c12-5(2-1-3-6(13)14)10-7-8-4-9-11-7/h4H,1-3H2,(H,13,14)(H2,8,9,10,11,12)
InChIKeyHFHUDNGUNSTECA-UHFFFAOYSA-N
XLogP-0.00
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-(4H-1,2,4-triazol-3-yl)carbamoyl)propanoic acid
CID 3608649
5-Oxo-5-(1,2,4-triazol-4-ylamino)pentanoic acid
CID 3514778
2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63663768
6-oxo-6-(1H-1,2,4-triazol-5-ylamino)hexanoic acid
CID 63663973
3-methyl-5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
CID 63663974
3,3-dimethyl-5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
CID 63666657
5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 79199696
5-[(2-Methyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoic acid
CID 81582418
3-Methyl-5-[(2-methyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoic acid
CID 81582759
3,3-Dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoic acid
CID 81583056
5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid
CID 83095033
3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550752

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid (CID 12541816) is 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid is O=C(O)CCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid?
The InChIKey is HFHUDNGUNSTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-5(2-1-3-6(13)14)10-7-8-4-9-11-7/h4H,1-3H2,(H,13,14)(H2,8,9,10,11,12).
What are the key properties of 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid?
5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid is sourced from PubChem (CID 12541816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).