2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid

C8H12N4O3 — CID 63654513

IUPAC2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ncn[nH]1)C(=O)O
InChIInChI=1S/C8H12N4O3/c1-2-3-5(8(14)15)11-7(13)6-9-4-10-12-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15)(H,9,10,12)
InChIKeyMKTHOZOYNVFFBP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.21
Rot. Bonds5

About 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid

2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid (PubChem CID 63654513) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
PubChem CID63654513
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ncn[nH]1)C(=O)O
InChIInChI=1S/C8H12N4O3/c1-2-3-5(8(14)15)11-7(13)6-9-4-10-12-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15)(H,9,10,12)
InChIKeyMKTHOZOYNVFFBP-UHFFFAOYSA-N
XLogP-0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990
N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749162
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 125041047
N-[(2R)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174349
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(2-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749118

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid?
The IUPAC name of 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid (CID 63654513) is 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid is CCCC(NC(=O)c1ncn[nH]1)C(=O)O.
What is the InChIKey of 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid?
The InChIKey is MKTHOZOYNVFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-3-5(8(14)15)11-7(13)6-9-4-10-12-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15)(H,9,10,12).
What are the key properties of 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid?
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid has a molecular weight of 212.21 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid is sourced from PubChem (CID 63654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).