2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

C12H21N5O2 — CID 115459780

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESNCc1cn(CC(=O)N2CCCC2CCCO)nn1
InChIInChI=1S/C12H21N5O2/c13-7-10-8-16(15-14-10)9-12(19)17-5-1-3-11(17)4-2-6-18/h8,11,18H,1-7,9,13H2
InChIKeyYLQJLSLEVJAEGA-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.50
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (PubChem CID 115459780) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
PubChem CID115459780
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESNCc1cn(CC(=O)N2CCCC2CCCO)nn1
InChIInChI=1S/C12H21N5O2/c13-7-10-8-16(15-14-10)9-12(19)17-5-1-3-11(17)4-2-6-18/h8,11,18H,1-7,9,13H2
InChIKeyYLQJLSLEVJAEGA-UHFFFAOYSA-N
XLogP-0.50
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone 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

2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 121208743
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 115459404
2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 115459017
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
3-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 62468958
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 113314176
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (CID 115459780) is 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is NCc1cn(CC(=O)N2CCCC2CCCO)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is YLQJLSLEVJAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-7-10-8-16(15-14-10)9-12(19)17-5-1-3-11(17)4-2-6-18/h8,11,18H,1-7,9,13H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 267.33 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).