1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid

C11H19N5O3 — CID 43592179

IUPAC1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCN2CCN(CCO)CC2)nn1
InChIInChI=1S/C11H19N5O3/c17-8-7-15-3-1-14(2-4-15)5-6-16-9-10(11(18)19)12-13-16/h9,17H,1-8H2,(H,18,19)
InChIKeyMQYSSANAGZGBPV-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.41
Rot. Bonds6

About 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid (PubChem CID 43592179) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
PubChem CID43592179
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCN2CCN(CCO)CC2)nn1
InChIInChI=1S/C11H19N5O3/c17-8-7-15-3-1-14(2-4-15)5-6-16-9-10(11(18)19)12-13-16/h9,17H,1-8H2,(H,18,19)
InChIKeyMQYSSANAGZGBPV-UHFFFAOYSA-N
XLogP-1.41
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(2-hydroxyethyl)piperazin-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-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-(5-hydroxypentyl)triazole-4-carboxylic acid
CID 62227732
1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63608693
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 29082664
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 61220921
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 142648062
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571
1-[2-(3-hydroxypropylamino)ethyl]triazole-4-carboxylic acid
CID 103238187
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-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]triazole-4-carboxylic acid
CID 64836407
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
CID 114777344

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid (CID 43592179) is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCN2CCN(CCO)CC2)nn1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid?
The InChIKey is MQYSSANAGZGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c17-8-7-15-3-1-14(2-4-15)5-6-16-9-10(11(18)19)12-13-16/h9,17H,1-8H2,(H,18,19).
What are the key properties of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid?
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 43592179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).