3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H20N6O — CID 53189691

IUPAC3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2cc(N3CCN(Cc4ccoc4)CC3)cnn12
InChIInChI=1S/C16H20N6O/c1-2-15-18-19-16-9-14(10-17-22(15)16)21-6-4-20(5-7-21)11-13-3-8-23-12-13/h3,8-10,12H,2,4-7,11H2,1H3
InChIKeyGNXQKYMRGCWJOW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.60
Rot. Bonds4

About 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189691) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189691
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2cc(N3CCN(Cc4ccoc4)CC3)cnn12
InChIInChI=1S/C16H20N6O/c1-2-15-18-19-16-9-14(10-17-22(15)16)21-6-4-20(5-7-21)11-13-3-8-23-12-13/h3,8-10,12H,2,4-7,11H2,1H3
InChIKeyGNXQKYMRGCWJOW-UHFFFAOYSA-N
XLogP1.60
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189691) is 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2cc(N3CCN(Cc4ccoc4)CC3)cnn12.
What is the InChIKey of 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GNXQKYMRGCWJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-2-15-18-19-16-9-14(10-17-22(15)16)21-6-4-20(5-7-21)11-13-3-8-23-12-13/h3,8-10,12H,2,4-7,11H2,1H3.
What are the key properties of 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 312.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).