N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C9H13F3N4O2 — CID 103915489

IUPACN-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)7-15(5-6-17)8(18)1-3-16-4-2-13-14-16/h2,4,17H,1,3,5-7H2
InChIKeyFZRXRCLCSQCRDT-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.05
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915489) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915489
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC NameN-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c10-9(11,12)7-15(5-6-17)8(18)1-3-16-4-2-13-14-16/h2,4,17H,1,3,5-7H2
InChIKeyFZRXRCLCSQCRDT-UHFFFAOYSA-N
XLogP0.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103915489) is N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCn1ccnn1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FZRXRCLCSQCRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c10-9(11,12)7-15(5-6-17)8(18)1-3-16-4-2-13-14-16/h2,4,17H,1,3,5-7H2.
What are the key properties of N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.22 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).