methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate

C9H16N4O3 — CID 66268145

IUPACmethyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cn(CCCO)nn1
InChIInChI=1S/C9H16N4O3/c1-16-9(15)6-10-5-8-7-13(12-11-8)3-2-4-14/h7,10,14H,2-6H2,1H3
InChIKeyGATACZFNSWTYBG-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.08
Rot. Bonds7

About methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate

methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate (PubChem CID 66268145) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
PubChem CID66268145
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Namemethyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cn(CCCO)nn1
InChIInChI=1S/C9H16N4O3/c1-16-9(15)6-10-5-8-7-13(12-11-8)3-2-4-14/h7,10,14H,2-6H2,1H3
InChIKeyGATACZFNSWTYBG-UHFFFAOYSA-N
XLogP-1.08
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate 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-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 66268917
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate?
The IUPAC name of methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate (CID 66268145) is methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate is COC(=O)CNCc1cn(CCCO)nn1.
What is the InChIKey of methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate?
The InChIKey is GATACZFNSWTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-16-9(15)6-10-5-8-7-13(12-11-8)3-2-4-14/h7,10,14H,2-6H2,1H3.
What are the key properties of methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate?
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate has a molecular weight of 228.25 g/mol, XLogP of -1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate is sourced from PubChem (CID 66268145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).