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

C9H16N4O2 — CID 81444021

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(O)c1cn(C(C)C(=O)N(C)C)nn1
InChIInChI=1S/C9H16N4O2/c1-6(9(15)12(3)4)13-5-8(7(2)14)10-11-13/h5-7,14H,1-4H3
InChIKeyLDMGFNNANPPUHB-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.02
Rot. Bonds3

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

2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 81444021) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
PubChem CID81444021
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(O)c1cn(C(C)C(=O)N(C)C)nn1
InChIInChI=1S/C9H16N4O2/c1-6(9(15)12(3)4)13-5-8(7(2)14)10-11-13/h5-7,14H,1-4H3
InChIKeyLDMGFNNANPPUHB-UHFFFAOYSA-N
XLogP-0.02
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide (CID 81444021) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide is CC(O)c1cn(C(C)C(=O)N(C)C)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is LDMGFNNANPPUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(9(15)12(3)4)13-5-8(7(2)14)10-11-13/h5-7,14H,1-4H3.
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 212.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 81444021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).