6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H21F3N8 — CID 126912397

IUPAC6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)ncn1
InChIInChI=1S/C19H21F3N8/c20-19(21,22)14-11-17(24-12-23-14)29-9-5-13(6-10-29)18-26-25-15-3-4-16(27-30(15)18)28-7-1-2-8-28/h3-4,11-13H,1-2,5-10H2
InChIKeyNOROHQOJRGISTR-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.92
Rot. Bonds3

About 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126912397) has the molecular formula C19H21F3N8 and a molecular weight of 418.43 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126912397
Molecular FormulaC19H21F3N8
Molecular Weight418.43 g/mol
Exact Mass418.18
IUPAC Name6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)ncn1
InChIInChI=1S/C19H21F3N8/c20-19(21,22)14-11-17(24-12-23-14)29-9-5-13(6-10-29)18-26-25-15-3-4-16(27-30(15)18)28-7-1-2-8-28/h3-4,11-13H,1-2,5-10H2
InChIKeyNOROHQOJRGISTR-UHFFFAOYSA-N
XLogP2.92
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126912392
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890840
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359
2-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126912785
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 171997704
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126912604

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126912397) is 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1cc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)ncn1.
What is the InChIKey of 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NOROHQOJRGISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8/c20-19(21,22)14-11-17(24-12-23-14)29-9-5-13(6-10-29)18-26-25-15-3-4-16(27-30(15)18)28-7-1-2-8-28/h3-4,11-13H,1-2,5-10H2.
What are the key properties of 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 418.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126912397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).