2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C11H21N5O — CID 106618380

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCn1cnnc1CN(CCO)CC1CCCN1
InChIInChI=1S/C11H21N5O/c1-15-9-13-14-11(15)8-16(5-6-17)7-10-3-2-4-12-10/h9-10,12,17H,2-8H2,1H3
InChIKeyMSZHSTNZQVBOSI-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.64
Rot. Bonds6

About 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618380) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618380
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCn1cnnc1CN(CCO)CC1CCCN1
InChIInChI=1S/C11H21N5O/c1-15-9-13-14-11(15)8-16(5-6-17)7-10-3-2-4-12-10/h9-10,12,17H,2-8H2,1H3
InChIKeyMSZHSTNZQVBOSI-UHFFFAOYSA-N
XLogP-0.64
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)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

Related Compounds

N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 78990642
2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618052
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106618118
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616947
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618380) is 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is Cn1cnnc1CN(CCO)CC1CCCN1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is MSZHSTNZQVBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-15-9-13-14-11(15)8-16(5-6-17)7-10-3-2-4-12-10/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).