3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide

C10H19N5O2 — CID 114167058

IUPAC3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1cn(CCO)nn1)C(N)=O
InChIInChI=1S/C10H19N5O2/c1-10(2,9(11)17)7-12-5-8-6-15(3-4-16)14-13-8/h6,12,16H,3-5,7H2,1-2H3,(H2,11,17)
InChIKeyNRRMMSFYFOVQEA-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.13
Rot. Bonds7

About 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide

3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide (PubChem CID 114167058) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
PubChem CID114167058
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1cn(CCO)nn1)C(N)=O
InChIInChI=1S/C10H19N5O2/c1-10(2,9(11)17)7-12-5-8-6-15(3-4-16)14-13-8/h6,12,16H,3-5,7H2,1-2H3,(H2,11,17)
InChIKeyNRRMMSFYFOVQEA-UHFFFAOYSA-N
XLogP-1.13
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
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
tert-butyl N-ethyl-N-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]ethyl]carbamate
CID 107245523
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide (CID 114167058) is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide is CC(C)(CNCc1cn(CCO)nn1)C(N)=O.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide?
The InChIKey is NRRMMSFYFOVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-10(2,9(11)17)7-12-5-8-6-15(3-4-16)14-13-8/h6,12,16H,3-5,7H2,1-2H3,(H2,11,17).
What are the key properties of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide?
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide has a molecular weight of 241.29 g/mol, XLogP of -1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 114167058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).