3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine

C13H22N4 — CID 106897929

IUPAC3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
SMILESCCC(C)C1CN(Cc2cccnn2)CCN1
InChIInChI=1S/C13H22N4/c1-3-11(2)13-10-17(8-7-14-13)9-12-5-4-6-15-16-12/h4-6,11,13-14H,3,7-10H2,1-2H3
InChIKeyGZOJPTGTSGDMSH-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.30
Rot. Bonds4

About 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine

3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine (PubChem CID 106897929) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
PubChem CID106897929
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
SMILESCCC(C)C1CN(Cc2cccnn2)CCN1
InChIInChI=1S/C13H22N4/c1-3-11(2)13-10-17(8-7-14-13)9-12-5-4-6-15-16-12/h4-6,11,13-14H,3,7-10H2,1-2H3
InChIKeyGZOJPTGTSGDMSH-UHFFFAOYSA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine?
The IUPAC name of 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine (CID 106897929) is 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine is CCC(C)C1CN(Cc2cccnn2)CCN1.
What is the InChIKey of 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine?
The InChIKey is GZOJPTGTSGDMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11(2)13-10-17(8-7-14-13)9-12-5-4-6-15-16-12/h4-6,11,13-14H,3,7-10H2,1-2H3.
What are the key properties of 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine?
3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine has a molecular weight of 234.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine is sourced from PubChem (CID 106897929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).