3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C9H14F2N4O2 — CID 103209271

IUPAC3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCOCC(F)F
InChIInChI=1S/C9H14F2N4O2/c1-15(4-8-12-6-13-14-8)9(16)2-3-17-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyUDZVTJDPUFRXPR-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.43
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 103209271) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID103209271
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCOCC(F)F
InChIInChI=1S/C9H14F2N4O2/c1-15(4-8-12-6-13-14-8)9(16)2-3-17-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyUDZVTJDPUFRXPR-UHFFFAOYSA-N
XLogP0.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 103209271) is 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is UDZVTJDPUFRXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c1-15(4-8-12-6-13-14-8)9(16)2-3-17-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 248.23 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 103209271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).