6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine

C13H7ClF2N6 — CID 166428516

IUPAC6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc2ncn(Cc3nnc4ccc(Cl)nn34)c2cc1F
InChIInChI=1S/C13H7ClF2N6/c14-11-1-2-12-18-19-13(22(12)20-11)5-21-6-17-9-3-7(15)8(16)4-10(9)21/h1-4,6H,5H2
InChIKeyXUQNKRDSSFSIAP-UHFFFAOYSA-N
MW320.69 g/mol
LogP2.45
Rot. Bonds2

About 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166428516) has the molecular formula C13H7ClF2N6 and a molecular weight of 320.69 g/mol. Its IUPAC name is 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166428516
Molecular FormulaC13H7ClF2N6
Molecular Weight320.69 g/mol
Exact Mass320.04
IUPAC Name6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc2ncn(Cc3nnc4ccc(Cl)nn34)c2cc1F
InChIInChI=1S/C13H7ClF2N6/c14-11-1-2-12-18-19-13(22(12)20-11)5-21-6-17-9-3-7(15)8(16)4-10(9)21/h1-4,6H,5H2
InChIKeyXUQNKRDSSFSIAP-UHFFFAOYSA-N
XLogP2.45
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167
1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine
CID 63189570
1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole
CID 115616694
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
CID 113223340
4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
CID 62564267
1-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 167842993
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 116620901
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
CID 78881099
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5,6-difluorobenzimidazole
CID 31807787
3-(5,6-difluorobenzimidazol-1-yl)propan-1-ol
CID 110892023

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 166428516) is 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cc2ncn(Cc3nnc4ccc(Cl)nn34)c2cc1F.
What is the InChIKey of 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XUQNKRDSSFSIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N6/c14-11-1-2-12-18-19-13(22(12)20-11)5-21-6-17-9-3-7(15)8(16)4-10(9)21/h1-4,6H,5H2.
What are the key properties of 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 320.69 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5,6-difluorobenzimidazol-1-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166428516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).