N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H16F3N7 — CID 133428183

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(Nc2ccc3c(c2)nc(C)n3C)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C17H16F3N7/c1-8-9(2)15-23-24-16(17(18,19)20)27(15)25-14(8)22-11-5-6-13-12(7-11)21-10(3)26(13)4/h5-7H,1-4H3,(H,22,25)
InChIKeyFMJVDXAXASKWGO-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.70
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133428183) has the molecular formula C17H16F3N7 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133428183
Molecular FormulaC17H16F3N7
Molecular Weight375.36 g/mol
Exact Mass375.14
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(Nc2ccc3c(c2)nc(C)n3C)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C17H16F3N7/c1-8-9(2)15-23-24-16(17(18,19)20)27(15)25-14(8)22-11-5-6-13-12(7-11)21-10(3)26(13)4/h5-7H,1-4H3,(H,22,25)
InChIKeyFMJVDXAXASKWGO-UHFFFAOYSA-N
XLogP3.70
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24605068
N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
CID 133428185
N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine
CID 133428184
2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974394
N-butyl-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367648
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
N-[(1,5-dimethylpyrazol-4-yl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133405643
4-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoic acid
CID 122058687
N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428180
N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367850
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428510
N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367727

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133428183) is N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1c(Nc2ccc3c(c2)nc(C)n3C)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FMJVDXAXASKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7/c1-8-9(2)15-23-24-16(17(18,19)20)27(15)25-14(8)22-11-5-6-13-12(7-11)21-10(3)26(13)4/h5-7H,1-4H3,(H,22,25).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 375.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133428183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).