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

C7H10N4O3 — CID 63654157

IUPAC2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1ncn[nH]1)C(=O)O
InChIInChI=1S/C7H10N4O3/c1-2-4(7(13)14)10-6(12)5-8-3-9-11-5/h3-4H,2H2,1H3,(H,10,12)(H,13,14)(H,8,9,11)
InChIKeyGGYZSSMPWZXSMY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.60
Rot. Bonds4

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

2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid (PubChem CID 63654157) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
PubChem CID63654157
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1ncn[nH]1)C(=O)O
InChIInChI=1S/C7H10N4O3/c1-2-4(7(13)14)10-6(12)5-8-3-9-11-5/h3-4H,2H2,1H3,(H,10,12)(H,13,14)(H,8,9,11)
InChIKeyGGYZSSMPWZXSMY-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
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
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 59608109
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
The IUPAC name of 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid (CID 63654157) is 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid is CCC(NC(=O)c1ncn[nH]1)C(=O)O.
What is the InChIKey of 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
The InChIKey is GGYZSSMPWZXSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-4(7(13)14)10-6(12)5-8-3-9-11-5/h3-4H,2H2,1H3,(H,10,12)(H,13,14)(H,8,9,11).
What are the key properties of 2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.60, 4 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)butanoic acid is sourced from PubChem (CID 63654157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).