3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine

C12H19N5 — CID 106550211

IUPAC3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine
SMILESCc1cnnc(N2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C12H19N5/c1-10-6-12(15-14-7-10)17-4-2-16(3-5-17)11-8-13-9-11/h6-7,11,13H,2-5,8-9H2,1H3
InChIKeyDKGGETTUPYSFHJ-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.12
Rot. Bonds2

About 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine

3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine (PubChem CID 106550211) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine.

Molecular Properties

Compound Name3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine
PubChem CID106550211
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine
SMILESCc1cnnc(N2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C12H19N5/c1-10-6-12(15-14-7-10)17-4-2-16(3-5-17)11-8-13-9-11/h6-7,11,13H,2-5,8-9H2,1H3
InChIKeyDKGGETTUPYSFHJ-UHFFFAOYSA-N
XLogP-0.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine?
The IUPAC name of 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine (CID 106550211) is 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine.
What is the SMILES notation for 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine?
The canonical SMILES for 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine is Cc1cnnc(N2CCN(C3CNC3)CC2)c1.
What is the InChIKey of 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine?
The InChIKey is DKGGETTUPYSFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10-6-12(15-14-7-10)17-4-2-16(3-5-17)11-8-13-9-11/h6-7,11,13H,2-5,8-9H2,1H3.
What are the key properties of 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine?
3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine has a molecular weight of 233.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-3-yl)piperazin-1-yl]-5-methylpyridazine is sourced from PubChem (CID 106550211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).