2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol

C14H21N5O2 — CID 111487800

IUPAC2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESCc1cccc(C)c1-n1nnnc1CN(CCO)CCO
InChIInChI=1S/C14H21N5O2/c1-11-4-3-5-12(2)14(11)19-13(15-16-17-19)10-18(6-8-20)7-9-21/h3-5,20-21H,6-10H2,1-2H3
InChIKeyZQTCWNYAYVWSSX-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.07
Rot. Bonds7

About 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 111487800) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID111487800
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESCc1cccc(C)c1-n1nnnc1CN(CCO)CCO
InChIInChI=1S/C14H21N5O2/c1-11-4-3-5-12(2)14(11)19-13(15-16-17-19)10-18(6-8-20)7-9-21/h3-5,20-21H,6-10H2,1-2H3
InChIKeyZQTCWNYAYVWSSX-UHFFFAOYSA-N
XLogP0.07
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 111487800) is 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol is Cc1cccc(C)c1-n1nnnc1CN(CCO)CCO.
What is the InChIKey of 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZQTCWNYAYVWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-4-3-5-12(2)14(11)19-13(15-16-17-19)10-18(6-8-20)7-9-21/h3-5,20-21H,6-10H2,1-2H3.
What are the key properties of 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 291.36 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 111487800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).