N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H16FN7 — CID 133428180

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nc2cc(Nc3ccc4nnc(-c5ccccc5F)n4n3)ccc2n1C
InChIInChI=1S/C20H16FN7/c1-12-22-16-11-13(7-8-17(16)27(12)2)23-18-9-10-19-24-25-20(28(19)26-18)14-5-3-4-6-15(14)21/h3-11H,1-2H3,(H,23,26)
InChIKeyCRBOXRKRYYXTKA-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.87
Rot. Bonds3

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

N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133428180) has the molecular formula C20H16FN7 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133428180
Molecular FormulaC20H16FN7
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nc2cc(Nc3ccc4nnc(-c5ccccc5F)n4n3)ccc2n1C
InChIInChI=1S/C20H16FN7/c1-12-22-16-11-13(7-8-17(16)27(12)2)23-18-9-10-19-24-25-20(28(19)26-18)14-5-3-4-6-15(14)21/h3-11H,1-2H3,(H,23,26)
InChIKeyCRBOXRKRYYXTKA-UHFFFAOYSA-N
XLogP3.87
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133406759
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133425100
N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428327
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24605068
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 75477278
3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47072288
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
CID 133443774

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133428180) is N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nc2cc(Nc3ccc4nnc(-c5ccccc5F)n4n3)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is CRBOXRKRYYXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7/c1-12-22-16-11-13(7-8-17(16)27(12)2)23-18-9-10-19-24-25-20(28(19)26-18)14-5-3-4-6-15(14)21/h3-11H,1-2H3,(H,23,26).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 373.40 g/mol, XLogP of 3.87, 3 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)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133428180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).