3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid

C8H8N6O3 — CID 115348197

IUPAC3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Cn1ccnn1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H8N6O3/c15-7(4-14-2-1-9-13-14)10-6-3-5(8(16)17)11-12-6/h1-3H,4H2,(H,16,17)(H2,10,11,12,15)
InChIKeyUMXVRIYGJLARAA-UHFFFAOYSA-N
MW236.19 g/mol
LogP-0.66
Rot. Bonds4

About 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 115348197) has the molecular formula C8H8N6O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID115348197
Molecular FormulaC8H8N6O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Cn1ccnn1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H8N6O3/c15-7(4-14-2-1-9-13-14)10-6-3-5(8(16)17)11-12-6/h1-3H,4H2,(H,16,17)(H2,10,11,12,15)
InChIKeyUMXVRIYGJLARAA-UHFFFAOYSA-N
XLogP-0.66
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 10416194
3-chloro-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 115348267
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 46982645
3-(but-3-enoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527466
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
CID 115877790
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
CID 28766650

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 115348197) is 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(Cn1ccnn1)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UMXVRIYGJLARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O3/c15-7(4-14-2-1-9-13-14)10-6-3-5(8(16)17)11-12-6/h1-3H,4H2,(H,16,17)(H2,10,11,12,15).
What are the key properties of 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 236.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115348197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).