1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

C10H12N6O3 — CID 66287862

IUPAC1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCCn1cc(NC(=O)Cn2cc(C(=O)O)nn2)cn1
InChIInChI=1S/C10H12N6O3/c1-2-15-4-7(3-11-15)12-9(17)6-16-5-8(10(18)19)13-14-16/h3-5H,2,6H2,1H3,(H,12,17)(H,18,19)
InChIKeyWGVMXSNDGUBWGY-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.17
Rot. Bonds5

About 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 66287862) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID66287862
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCCn1cc(NC(=O)Cn2cc(C(=O)O)nn2)cn1
InChIInChI=1S/C10H12N6O3/c1-2-15-4-7(3-11-15)12-9(17)6-16-5-8(10(18)19)13-14-16/h3-5H,2,6H2,1H3,(H,12,17)(H,18,19)
InChIKeyWGVMXSNDGUBWGY-UHFFFAOYSA-N
XLogP-0.17
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66290982
1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66288893
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289113
1-[2-(3-bromoanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059614
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 62060883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (CID 66287862) is 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is CCn1cc(NC(=O)Cn2cc(C(=O)O)nn2)cn1.
What is the InChIKey of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is WGVMXSNDGUBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-2-15-4-7(3-11-15)12-9(17)6-16-5-8(10(18)19)13-14-16/h3-5H,2,6H2,1H3,(H,12,17)(H,18,19).
What are the key properties of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 264.25 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66287862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).