N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H15F3N4O2 — CID 64546464

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCc1ncn[nH]1
InChIInChI=1S/C10H15F3N4O2/c11-10(12,13)6-19-5-3-9(18)14-4-1-2-8-15-7-16-17-8/h7H,1-6H2,(H,14,18)(H,15,16,17)
InChIKeySFWYGWFESDDODK-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.82
Rot. Bonds8

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 64546464) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID64546464
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCc1ncn[nH]1
InChIInChI=1S/C10H15F3N4O2/c11-10(12,13)6-19-5-3-9(18)14-4-1-2-8-15-7-16-17-8/h7H,1-6H2,(H,14,18)(H,15,16,17)
InChIKeySFWYGWFESDDODK-UHFFFAOYSA-N
XLogP0.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 124209575
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54885328
3,3,3-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982689
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64510030
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64511451
3,3,3-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64518376
2,2,2-trifluoroethyl N-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 64523157
2,2,2-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546522
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64546610
2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546651
3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64547760
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65711584

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 64546464) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCCCc1ncn[nH]1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SFWYGWFESDDODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c11-10(12,13)6-19-5-3-9(18)14-4-1-2-8-15-7-16-17-8/h7H,1-6H2,(H,14,18)(H,15,16,17).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 280.25 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 64546464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).