6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C19H14FN7 — CID 91157821

IUPAC6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(-c2nn(C3=Nn4cnnc4CC3)cc2-c2ccccn2)cc1
InChIInChI=1S/C19H14FN7/c20-14-6-4-13(5-7-14)19-15(16-3-1-2-10-21-16)11-26(25-19)18-9-8-17-23-22-12-27(17)24-18/h1-7,10-12H,8-9H2
InChIKeyWNHMYGLVGLVTQX-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.00
Rot. Bonds2

About 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 91157821) has the molecular formula C19H14FN7 and a molecular weight of 359.37 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID91157821
Molecular FormulaC19H14FN7
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(-c2nn(C3=Nn4cnnc4CC3)cc2-c2ccccn2)cc1
InChIInChI=1S/C19H14FN7/c20-14-6-4-13(5-7-14)19-15(16-3-1-2-10-21-16)11-26(25-19)18-9-8-17-23-22-12-27(17)24-18/h1-7,10-12H,8-9H2
InChIKeyWNHMYGLVGLVTQX-UHFFFAOYSA-N
XLogP3.00
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine
CID 10067992
4-[3-(3,4-difluorophenyl)-1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 69414764
2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine
CID 23068541
3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine
CID 71084420
3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 10450574
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 91520169
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
CID 175720169
3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 83222410
3-(4-fluorophenyl)-2-pyridin-2-ylpyrazolo[1,5-a]pyridine
CID 69224780
3-pyridazin-3-yl-4-pyridin-2-ylpyridazine
CID 68868230
6-(4-fluorophenyl)-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 933950

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 91157821) is 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccc(-c2nn(C3=Nn4cnnc4CC3)cc2-c2ccccn2)cc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WNHMYGLVGLVTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7/c20-14-6-4-13(5-7-14)19-15(16-3-1-2-10-21-16)11-26(25-19)18-9-8-17-23-22-12-27(17)24-18/h1-7,10-12H,8-9H2.
What are the key properties of 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 359.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 91157821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).