6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H23N7 — CID 126910977

IUPAC6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn(CCN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1
InChIInChI=1S/C18H23N7/c1-8-19-24(9-1)13-12-23-10-6-15(7-11-23)18-21-20-17-5-4-16(14-2-3-14)22-25(17)18/h1,4-5,8-9,14-15H,2-3,6-7,10-13H2
InChIKeyAVXWMXQXXAGTTQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.08
Rot. Bonds5

About 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126910977) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126910977
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn(CCN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1
InChIInChI=1S/C18H23N7/c1-8-19-24(9-1)13-12-23-10-6-15(7-11-23)18-21-20-17-5-4-16(14-2-3-14)22-25(17)18/h1,4-5,8-9,14-15H,2-3,6-7,10-13H2
InChIKeyAVXWMXQXXAGTTQ-UHFFFAOYSA-N
XLogP2.08
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-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 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126910977) is 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1cnn(CCN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1.
What is the InChIKey of 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AVXWMXQXXAGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-8-19-24(9-1)13-12-23-10-6-15(7-11-23)18-21-20-17-5-4-16(14-2-3-14)22-25(17)18/h1,4-5,8-9,14-15H,2-3,6-7,10-13H2.
What are the key properties of 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 337.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126910977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).