1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid

C11H19N5O2 — CID 63608693

IUPAC1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESCC1CN(CCn2cc(C(=O)O)nn2)CCN1C
InChIInChI=1S/C11H19N5O2/c1-9-7-15(4-3-14(9)2)5-6-16-8-10(11(17)18)12-13-16/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeySLPGVQADEGLAJQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.39
Rot. Bonds4

About 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid

1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 63608693) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
PubChem CID63608693
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESCC1CN(CCn2cc(C(=O)O)nn2)CCN1C
InChIInChI=1S/C11H19N5O2/c1-9-7-15(4-3-14(9)2)5-6-16-8-10(11(17)18)12-13-16/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeySLPGVQADEGLAJQ-UHFFFAOYSA-N
XLogP-0.39
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
CID 43544795
1-[2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]triazole-4-carboxylic acid
CID 113399291
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 61220921
1-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]triazole-4-carboxylic acid
CID 64836407
1-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 114539319
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
CID 114777344
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[[1-(2-fluoroethyl)azetidin-3-yl]methyl]triazole-4-carboxylic acid
CID 121208487
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid (CID 63608693) is 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid is CC1CN(CCn2cc(C(=O)O)nn2)CCN1C.
What is the InChIKey of 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is SLPGVQADEGLAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-9-7-15(4-3-14(9)2)5-6-16-8-10(11(17)18)12-13-16/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid?
1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 253.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 63608693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).