2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide

C9H17N5O2 — CID 66269111

IUPAC2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cn(CCCO)nn1
InChIInChI=1S/C9H17N5O2/c1-10-9(16)6-11-5-8-7-14(13-12-8)3-2-4-15/h7,11,15H,2-6H2,1H3,(H,10,16)
InChIKeyRHADHECRFRMDID-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.50
Rot. Bonds7

About 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide (PubChem CID 66269111) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
PubChem CID66269111
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cn(CCCO)nn1
InChIInChI=1S/C9H17N5O2/c1-10-9(16)6-11-5-8-7-14(13-12-8)3-2-4-15/h7,11,15H,2-6H2,1H3,(H,10,16)
InChIKeyRHADHECRFRMDID-UHFFFAOYSA-N
XLogP-1.50
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide 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-propan-2-ylacetamide
CID 66270629
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268573

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide?
The IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide (CID 66269111) is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide is CNC(=O)CNCc1cn(CCCO)nn1.
What is the InChIKey of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide?
The InChIKey is RHADHECRFRMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-10-9(16)6-11-5-8-7-14(13-12-8)3-2-4-15/h7,11,15H,2-6H2,1H3,(H,10,16).
What are the key properties of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide?
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide has a molecular weight of 227.27 g/mol, XLogP of -1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide is sourced from PubChem (CID 66269111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).