6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C17H11Cl2N5 — CID 3070768

IUPAC6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C17H11Cl2N5/c1-10-21-22-17-20-15(11-2-6-13(18)7-3-11)16(23-24(10)17)12-4-8-14(19)9-5-12/h2-9H,1H3
InChIKeyGPYBDZIRNVCRQB-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.47
Rot. Bonds2

About 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3070768) has the molecular formula C17H11Cl2N5 and a molecular weight of 356.22 g/mol. Its IUPAC name is 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3070768
Molecular FormulaC17H11Cl2N5
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C17H11Cl2N5/c1-10-21-22-17-20-15(11-2-6-13(18)7-3-11)16(23-24(10)17)12-4-8-14(19)9-5-12/h2-9H,1H3
InChIKeyGPYBDZIRNVCRQB-UHFFFAOYSA-N
XLogP4.47
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
2-(4-Chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 625142
3-(4-Chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 753149
5,6-Bis(4-chlorophenyl)-3-(methylsulfanyl)-1,2,4-triazine
CID 3053046
1,1'-Bi-1H-imidazole, 2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-
CID 74357
7-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3152515
3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
CID 6409904
6-(4-Chlorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 621011
2-(4-Chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 898130
(7-(2,4-Dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11596123
(7-(2,4-Dichlorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11632375

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3070768) is 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Cc1nnc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is GPYBDZIRNVCRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5/c1-10-21-22-17-20-15(11-2-6-13(18)7-3-11)16(23-24(10)17)12-4-8-14(19)9-5-12/h2-9H,1H3.
What are the key properties of 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 356.22 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3070768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).