(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone

C22H18F2N6O — CID 122175954

IUPAC(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1
InChIInChI=1S/C22H18F2N6O/c23-17-6-4-15(5-7-17)21-26-25-19-8-9-20(27-30(19)21)28-10-12-29(13-11-28)22(31)16-2-1-3-18(24)14-16/h1-9,14H,10-13H2
InChIKeyOJEIHAPNOIDCKD-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.03
Rot. Bonds3

About (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone (PubChem CID 122175954) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone
PubChem CID122175954
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1
InChIInChI=1S/C22H18F2N6O/c23-17-6-4-15(5-7-17)21-26-25-19-8-9-20(27-30(19)21)28-10-12-29(13-11-28)22(31)16-2-1-3-18(24)14-16/h1-9,14H,10-13H2
InChIKeyOJEIHAPNOIDCKD-UHFFFAOYSA-N
XLogP3.03
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluorophenyl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 20878041
(4-fluorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801603
(3-methoxyphenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134802467
(4-fluorophenyl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801416
3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175944
6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175947
4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-propan-2-ylpiperazine-1-carbothioamide
CID 6622899
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
(5-bromofuran-2-yl)-[4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone
CID 25223717
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 121107167
(3-fluorophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203474

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone (CID 122175954) is (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone?
The InChIKey is OJEIHAPNOIDCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c23-17-6-4-15(5-7-17)21-26-25-19-8-9-20(27-30(19)21)28-10-12-29(13-11-28)22(31)16-2-1-3-18(24)14-16/h1-9,14H,10-13H2.
What are the key properties of (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone has a molecular weight of 420.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122175954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).