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

C9H16N4O2 — CID 62399435

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C9H16N4O2/c1-2-4-10-9(15)7-13-6-8(3-5-14)11-12-13/h6,14H,2-5,7H2,1H3,(H,10,15)
InChIKeyROVLEHNAPNZXIR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.66
Rot. Bonds6

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

2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide (PubChem CID 62399435) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
PubChem CID62399435
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C9H16N4O2/c1-2-4-10-9(15)7-13-6-8(3-5-14)11-12-13/h6,14H,2-5,7H2,1H3,(H,10,15)
InChIKeyROVLEHNAPNZXIR-UHFFFAOYSA-N
XLogP-0.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
methyl 1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylate
CID 103642831
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
2-[4-(3-aminopropyl)triazol-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 106220974
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
2-[4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458538
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 106220901
2-amino-3-[1-[2-(butylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116734900
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62401710
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide (CID 62399435) is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1cc(CCO)nn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide?
The InChIKey is ROVLEHNAPNZXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-4-10-9(15)7-13-6-8(3-5-14)11-12-13/h6,14H,2-5,7H2,1H3,(H,10,15).
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide?
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide has a molecular weight of 212.25 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 62399435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).