2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide

C9H17N5O2 — CID 66270736

IUPAC2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cn(CCO)nn1
InChIInChI=1S/C9H17N5O2/c1-13(2)9(16)6-10-5-8-7-14(3-4-15)12-11-8/h7,10,15H,3-6H2,1-2H3
InChIKeyHYWJYFYUMOFJLD-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.55
Rot. Bonds6

About 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide

2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide (PubChem CID 66270736) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
PubChem CID66270736
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cn(CCO)nn1
InChIInChI=1S/C9H17N5O2/c1-13(2)9(16)6-10-5-8-7-14(3-4-15)12-11-8/h7,10,15H,3-6H2,1-2H3
InChIKeyHYWJYFYUMOFJLD-UHFFFAOYSA-N
XLogP-1.55
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
CID 114167058
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide (CID 66270736) is 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1cn(CCO)nn1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide?
The InChIKey is HYWJYFYUMOFJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-13(2)9(16)6-10-5-8-7-14(3-4-15)12-11-8/h7,10,15H,3-6H2,1-2H3.
What are the key properties of 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide?
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide has a molecular weight of 227.27 g/mol, XLogP of -1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 66270736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).