7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H16N6S — CID 53189617

IUPAC7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1csc(CN2CCN(c3cnn4cnnc4c3)CC2)c1
InChIInChI=1S/C14H16N6S/c1-2-13(21-7-1)10-18-3-5-19(6-4-18)12-8-14-17-15-11-20(14)16-9-12/h1-2,7-9,11H,3-6,10H2
InChIKeyTWXMCAZYGNHYSI-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.51
Rot. Bonds3

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

7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189617) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189617
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1csc(CN2CCN(c3cnn4cnnc4c3)CC2)c1
InChIInChI=1S/C14H16N6S/c1-2-13(21-7-1)10-18-3-5-19(6-4-18)12-8-14-17-15-11-20(14)16-9-12/h1-2,7-9,11H,3-6,10H2
InChIKeyTWXMCAZYGNHYSI-UHFFFAOYSA-N
XLogP1.51
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189617) is 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1csc(CN2CCN(c3cnn4cnnc4c3)CC2)c1.
What is the InChIKey of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is TWXMCAZYGNHYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-13(21-7-1)10-18-3-5-19(6-4-18)12-8-14-17-15-11-20(14)16-9-12/h1-2,7-9,11H,3-6,10H2.
What are the key properties of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 300.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).