[1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol

C13H14F2N4O2 — CID 10236452

IUPAC[1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cc(F)c(N3CCOCC3)c(F)c2)nn1
InChIInChI=1S/C13H14F2N4O2/c14-11-5-10(19-7-9(8-20)16-17-19)6-12(15)13(11)18-1-3-21-4-2-18/h5-7,20H,1-4,8H2
InChIKeyIUDQQILZTPPQTC-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.87
Rot. Bonds3

About [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol

[1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol (PubChem CID 10236452) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol
PubChem CID10236452
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name[1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cc(F)c(N3CCOCC3)c(F)c2)nn1
InChIInChI=1S/C13H14F2N4O2/c14-11-5-10(19-7-9(8-20)16-17-19)6-12(15)13(11)18-1-3-21-4-2-18/h5-7,20H,1-4,8H2
InChIKeyIUDQQILZTPPQTC-UHFFFAOYSA-N
XLogP0.87
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
[1-(4-Nitrophenyl)triazol-4-yl]methanol
CID 14872470
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006
[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828290
[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828292
1H-1,2,3-Triazole-4-methanol, alpha-methyl-1-phenyl-
CID 19880800
[1-(4-aminophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 75355747
2-[4-[(1-Phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 71934169
4-[(1-Phenyltriazol-4-yl)methyl]morpholine
CID 12636790
4-[4-[4-(Azidomethyl)triazol-1-yl]-2-fluorophenyl]morpholine
CID 10125565
4-[2-Fluoro-4-[4-(isothiocyanatomethyl)triazol-1-yl]phenyl]morpholine
CID 10125707
Methanesulfonic acid 1-(3,5-difluoro-4-morpholin-4-yl-phenyl)-1H-[1,2,3]triazol-4-ylmethyl Ester
CID 10126363

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol (CID 10236452) is [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol is OCc1cn(-c2cc(F)c(N3CCOCC3)c(F)c2)nn1.
What is the InChIKey of [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
The InChIKey is IUDQQILZTPPQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c14-11-5-10(19-7-9(8-20)16-17-19)6-12(15)13(11)18-1-3-21-4-2-18/h5-7,20H,1-4,8H2.
What are the key properties of [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
[1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol has a molecular weight of 296.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 10236452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).