1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid

C11H16N6O2 — CID 107463799

IUPAC1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCc1nn(C)cc1NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H16N6O2/c1-3-8-9(6-16(2)14-8)12-4-5-17-7-10(11(18)19)13-15-17/h6-7,12H,3-5H2,1-2H3,(H,18,19)
InChIKeyKOKFMPIVIOQNPF-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.38
Rot. Bonds6

About 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 107463799) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID107463799
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCc1nn(C)cc1NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H16N6O2/c1-3-8-9(6-16(2)14-8)12-4-5-17-7-10(11(18)19)13-15-17/h6-7,12H,3-5H2,1-2H3,(H,18,19)
InChIKeyKOKFMPIVIOQNPF-UHFFFAOYSA-N
XLogP0.38
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-chloro-4-methylanilino)ethyl]triazole-4-carboxylic acid
CID 103236396
1-[2-(3-ethylanilino)ethyl]triazole-4-carboxylic acid
CID 103236120
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[2-[ethyl(methyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 103249170
1-[2-(4-propan-2-ylanilino)ethyl]triazole-4-carboxylic acid
CID 103233333
1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 136959154
1-[2-(2-bromo-4-chloroanilino)ethyl]triazole-4-carboxylic acid
CID 103259296
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
1-[2-[3-(hydroxymethyl)pentan-3-ylamino]ethyl]triazole-4-carboxylic acid
CID 103249079
1-[2-(4-iodo-2-nitroanilino)ethyl]triazole-4-carboxylic acid
CID 66065445
1-[2-[(2-hydroxy-2-methylpentyl)amino]ethyl]triazole-4-carboxylic acid
CID 106294589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid (CID 107463799) is 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid is CCc1nn(C)cc1NCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is KOKFMPIVIOQNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-8-9(6-16(2)14-8)12-4-5-17-7-10(11(18)19)13-15-17/h6-7,12H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 264.29 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107463799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).