[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate

C15H15F2N7O2 — CID 67364767

IUPAC[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate
SMILESNCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2N7O2/c16-11-1-2-12(13(17)3-11)15(26-14(25)4-18,5-23-9-19-7-21-23)6-24-10-20-8-22-24/h1-3,7-10H,4-6,18H2
InChIKeyZNIUFHAXALERPK-UHFFFAOYSA-N
MW363.33 g/mol
LogP0.25
Rot. Bonds7

About [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate

[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate (PubChem CID 67364767) has the molecular formula C15H15F2N7O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate
PubChem CID67364767
Molecular FormulaC15H15F2N7O2
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Name[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate
SMILESNCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2N7O2/c16-11-1-2-12(13(17)3-11)15(26-14(25)4-18,5-23-9-19-7-21-23)6-24-10-20-8-22-24/h1-3,7-10H,4-6,18H2
InChIKeyZNIUFHAXALERPK-UHFFFAOYSA-N
XLogP0.25
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate with MolForge

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Related Compounds

Fluconazole
CID 3365
2-(4-Fluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
CID 134034
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate
CID 11393903
Fluconazole N-Oxide
CID 154789972
CID 445283
CID 445283
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-bromododecanoate
CID 11180578
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-bromotetradecanoate
CID 11215516
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-bromooctanoate
CID 11283642
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] tetradecanoate
CID 11352839
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-bromohexanoate
CID 11375105
[2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-bromobutanoate
CID 11396895
2-Chloroethyl [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] carbonate
CID 11441326

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate?
The IUPAC name of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate (CID 67364767) is [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate?
The canonical SMILES for [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate is NCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate?
The InChIKey is ZNIUFHAXALERPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O2/c16-11-1-2-12(13(17)3-11)15(26-14(25)4-18,5-23-9-19-7-21-23)6-24-10-20-8-22-24/h1-3,7-10H,4-6,18H2.
What are the key properties of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate?
[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate has a molecular weight of 363.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 2-aminoacetate is sourced from PubChem (CID 67364767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).