7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H24N6 — CID 53189610

IUPAC7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1
InChIInChI=1S/C19H24N6/c1-15(2)17-5-3-16(4-6-17)13-23-7-9-24(10-8-23)18-11-19-22-20-14-25(19)21-12-18/h3-6,11-12,14-15H,7-10,13H2,1-2H3
InChIKeyXOSZIBAMDURCFB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.57
Rot. Bonds4

About 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189610) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189610
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1
InChIInChI=1S/C19H24N6/c1-15(2)17-5-3-16(4-6-17)13-23-7-9-24(10-8-23)18-11-19-22-20-14-25(19)21-12-18/h3-6,11-12,14-15H,7-10,13H2,1-2H3
InChIKeyXOSZIBAMDURCFB-UHFFFAOYSA-N
XLogP2.57
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189610) is 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1.
What is the InChIKey of 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XOSZIBAMDURCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-15(2)17-5-3-16(4-6-17)13-23-7-9-24(10-8-23)18-11-19-22-20-14-25(19)21-12-18/h3-6,11-12,14-15H,7-10,13H2,1-2H3.
What are the key properties of 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 336.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).