7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C18H19N7O2 — CID 54002657

IUPAC7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Oc1nn2c(-c3ccco3)nnc2cc1C1CCCC1)c1ncn[nH]1
InChIInChI=1S/C18H19N7O2/c1-11(16-19-10-20-22-16)27-18-13(12-5-2-3-6-12)9-15-21-23-17(25(15)24-18)14-7-4-8-26-14/h4,7-12H,2-3,5-6H2,1H3,(H,19,20,22)
InChIKeyKMRUJDCWDUMYPY-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.30
Rot. Bonds5

About 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine

7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 54002657) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID54002657
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Oc1nn2c(-c3ccco3)nnc2cc1C1CCCC1)c1ncn[nH]1
InChIInChI=1S/C18H19N7O2/c1-11(16-19-10-20-22-16)27-18-13(12-5-2-3-6-12)9-15-21-23-17(25(15)24-18)14-7-4-8-26-14/h4,7-12H,2-3,5-6H2,1H3,(H,19,20,22)
InChIKeyKMRUJDCWDUMYPY-UHFFFAOYSA-N
XLogP3.30
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 54002657) is 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine is CC(Oc1nn2c(-c3ccco3)nnc2cc1C1CCCC1)c1ncn[nH]1.
What is the InChIKey of 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KMRUJDCWDUMYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-11(16-19-10-20-22-16)27-18-13(12-5-2-3-6-12)9-15-21-23-17(25(15)24-18)14-7-4-8-26-14/h4,7-12H,2-3,5-6H2,1H3,(H,19,20,22).
What are the key properties of 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 365.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-3-(furan-2-yl)-6-[1-(1H-1,2,4-triazol-5-yl)ethoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 54002657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).