10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine

C22H15F3N4O — CID 145125611

IUPAC10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
SMILESCn1ncnc1-c1ccc(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C22H15F3N4O/c1-28-21(26-13-27-28)14-10-11-16(15(12-14)22(23,24)25)29-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)29/h2-13H,1H3
InChIKeyDSBCOAFRAYBIJX-UHFFFAOYSA-N
MW408.38 g/mol
LogP6.08
Rot. Bonds2

About 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine

10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine (PubChem CID 145125611) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
PubChem CID145125611
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
SMILESCn1ncnc1-c1ccc(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C22H15F3N4O/c1-28-21(26-13-27-28)14-10-11-16(15(12-14)22(23,24)25)29-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)29/h2-13H,1H3
InChIKeyDSBCOAFRAYBIJX-UHFFFAOYSA-N
XLogP6.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
CID 102430159
2Pxz-taz
CID 102430160
1-[4-[1-[4-(1,1,2,2,2-Pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 118675116
10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine
CID 140910355
10-[4-(2-Phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
CID 140910377
2-Methyl-4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]aniline
CID 155581209
2,6-Dimethyl-4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]aniline
CID 155581302
3-Methyl-10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]-3,4-dihydrophenoxazine
CID 163900376
N'-[6-[1-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-triazol-3-yl]quinolin-2-yl]-N-ethyl-N-(2-propan-2-ylphenyl)ethanimidamide
CID 166811730
4-[1-[4-(2,2-Difluoroethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylaniline
CID 178018239
4-{5-[1-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]-2-methoxyphenyl}morpholine
CID 72937954
7-Fluoro-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 99564546

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine (CID 145125611) is 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine is Cn1ncnc1-c1ccc(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1.
What is the InChIKey of 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is DSBCOAFRAYBIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c1-28-21(26-13-27-28)14-10-11-16(15(12-14)22(23,24)25)29-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)29/h2-13H,1H3.
What are the key properties of 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 408.38 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2-methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 145125611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).