6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C15H23N7 — CID 126892258

IUPAC6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)N1CCN(C2CN(c3ccc4nncn4n3)C2)CC1
InChIInChI=1S/C15H23N7/c1-12(2)19-5-7-20(8-6-19)13-9-21(10-13)15-4-3-14-17-16-11-22(14)18-15/h3-4,11-13H,5-10H2,1-2H3
InChIKeyJZCRJTSJTNNATG-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.34
Rot. Bonds3

About 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126892258) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126892258
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)N1CCN(C2CN(c3ccc4nncn4n3)C2)CC1
InChIInChI=1S/C15H23N7/c1-12(2)19-5-7-20(8-6-19)13-9-21(10-13)15-4-3-14-17-16-11-22(14)18-15/h3-4,11-13H,5-10H2,1-2H3
InChIKeyJZCRJTSJTNNATG-UHFFFAOYSA-N
XLogP0.34
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126892258) is 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)N1CCN(C2CN(c3ccc4nncn4n3)C2)CC1.
What is the InChIKey of 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JZCRJTSJTNNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-12(2)19-5-7-20(8-6-19)13-9-21(10-13)15-4-3-14-17-16-11-22(14)18-15/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 301.40 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126892258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).