7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H18N6 — CID 53189614

IUPAC7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCN1CCN(c2cnn3cnnc3c2)CC1
InChIInChI=1S/C12H18N6/c1-2-3-16-4-6-17(7-5-16)11-8-12-15-13-10-18(12)14-9-11/h8-10H,2-7H2,1H3
InChIKeySRVBXASEETVUFJ-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.66
Rot. Bonds3

About 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189614) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189614
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCN1CCN(c2cnn3cnnc3c2)CC1
InChIInChI=1S/C12H18N6/c1-2-3-16-4-6-17(7-5-16)11-8-12-15-13-10-18(12)14-9-11/h8-10H,2-7H2,1H3
InChIKeySRVBXASEETVUFJ-UHFFFAOYSA-N
XLogP0.66
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189614) is 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCCN1CCN(c2cnn3cnnc3c2)CC1.
What is the InChIKey of 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SRVBXASEETVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-3-16-4-6-17(7-5-16)11-8-12-15-13-10-18(12)14-9-11/h8-10H,2-7H2,1H3.
What are the key properties of 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 246.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).