3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H24N6O — CID 53189715

IUPAC3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1ccc(CN2CCN(c3cnn4c(C5CC5)nnc4c3)CC2)o1
InChIInChI=1S/C19H24N6O/c1-2-16-5-6-17(26-16)13-23-7-9-24(10-8-23)15-11-18-21-22-19(14-3-4-14)25(18)20-12-15/h5-6,11-12,14H,2-4,7-10,13H2,1H3
InChIKeyLNIIAUGLAUZOSE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.48
Rot. Bonds5

About 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189715) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189715
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1ccc(CN2CCN(c3cnn4c(C5CC5)nnc4c3)CC2)o1
InChIInChI=1S/C19H24N6O/c1-2-16-5-6-17(26-16)13-23-7-9-24(10-8-23)15-11-18-21-22-19(14-3-4-14)25(18)20-12-15/h5-6,11-12,14H,2-4,7-10,13H2,1H3
InChIKeyLNIIAUGLAUZOSE-UHFFFAOYSA-N
XLogP2.48
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189715) is 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CCc1ccc(CN2CCN(c3cnn4c(C5CC5)nnc4c3)CC2)o1.
What is the InChIKey of 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LNIIAUGLAUZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-16-5-6-17(26-16)13-23-7-9-24(10-8-23)15-11-18-21-22-19(14-3-4-14)25(18)20-12-15/h5-6,11-12,14H,2-4,7-10,13H2,1H3.
What are the key properties of 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 352.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).