6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H16FN7 — CID 172906379

IUPAC6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccnc1CN1CC2CC(C1)N2c1ccc2nncn2n1
InChIInChI=1S/C16H16FN7/c17-13-2-1-5-18-14(13)9-22-7-11-6-12(8-22)24(11)16-4-3-15-20-19-10-23(15)21-16/h1-5,10-12H,6-9H2
InChIKeyVJDXRKKEIDBMCI-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.12
Rot. Bonds3

About 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 172906379) has the molecular formula C16H16FN7 and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID172906379
Molecular FormulaC16H16FN7
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccnc1CN1CC2CC(C1)N2c1ccc2nncn2n1
InChIInChI=1S/C16H16FN7/c17-13-2-1-5-18-14(13)9-22-7-11-6-12(8-22)24(11)16-4-3-15-20-19-10-23(15)21-16/h1-5,10-12H,6-9H2
InChIKeyVJDXRKKEIDBMCI-UHFFFAOYSA-N
XLogP1.12
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 172893840
3-[(3-fluoro-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 172893694
4-[[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 172893719
6-(5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155798898
6-[(3-fluoro-2-pyridinyl)methyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 175649871
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 126920249
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 172880678
6-[6-[(2-bromophenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 172892634
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
6-[(3-fluoro-2-pyridinyl)methyl]-3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 175649716
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
6-[(3-fluoro-2-pyridinyl)methyl]-3-[6-(trifluoromethyl)pyrimidin-4-yl]-3,6-diazabicyclo[3.1.1]heptane
CID 172881443

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 172906379) is 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cccnc1CN1CC2CC(C1)N2c1ccc2nncn2n1.
What is the InChIKey of 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VJDXRKKEIDBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7/c17-13-2-1-5-18-14(13)9-22-7-11-6-12(8-22)24(11)16-4-3-15-20-19-10-23(15)21-16/h1-5,10-12H,6-9H2.
What are the key properties of 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 325.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 172906379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).