1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H10ClFN4 — CID 71295682

IUPAC1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2c(F)cccc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C16H10ClFN4/c1-9-15-20-21-16(10-5-2-3-6-11(10)17)22(15)13-8-4-7-12(18)14(13)19-9/h2-8H,1H3
InChIKeyFFFVOXSJKSHZCM-UHFFFAOYSA-N
MW312.74 g/mol
LogP4.05
Rot. Bonds1

About 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 71295682) has the molecular formula C16H10ClFN4 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID71295682
Molecular FormulaC16H10ClFN4
Molecular Weight312.74 g/mol
Exact Mass312.06
IUPAC Name1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2c(F)cccc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C16H10ClFN4/c1-9-15-20-21-16(10-5-2-3-6-11(10)17)22(15)13-8-4-7-12(18)14(13)19-9/h2-8H,1H3
InChIKeyFFFVOXSJKSHZCM-UHFFFAOYSA-N
XLogP4.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153332
1-(2-chlorophenyl)-8-(1,1-difluoroethoxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71153255
1-(2-chlorophenyl)-N-(2-methoxyethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153354
1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 89315943
8-chloro-3-(3-chloro-2-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81264986
1-(2-chlorophenyl)-4-methyl-7-(trifluoromethoxy)-[1,2,4]triazolo[4,3-a]quinoline
CID 163960892
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153436
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]amino]cyclohexan-1-ol
CID 71520692
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 164611465
1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153218
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)-4-fluorobenzimidazole
CID 66251217

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 71295682) is 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2c(F)cccc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is FFFVOXSJKSHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4/c1-9-15-20-21-16(10-5-2-3-6-11(10)17)22(15)13-8-4-7-12(18)14(13)19-9/h2-8H,1H3.
What are the key properties of 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 312.74 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 71295682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).