3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C22H28N6 — CID 126913121

IUPAC3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cncc(-c2ccc3nnc(C4CCN(CC5CCCCC5)CC4)n3n2)c1
InChIInChI=1S/C22H28N6/c1-2-5-17(6-3-1)16-27-13-10-18(11-14-27)22-25-24-21-9-8-20(26-28(21)22)19-7-4-12-23-15-19/h4,7-9,12,15,17-18H,1-3,5-6,10-11,13-14,16H2
InChIKeyGBINDUWKQNCRBN-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.95
Rot. Bonds4

About 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126913121) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126913121
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cncc(-c2ccc3nnc(C4CCN(CC5CCCCC5)CC4)n3n2)c1
InChIInChI=1S/C22H28N6/c1-2-5-17(6-3-1)16-27-13-10-18(11-14-27)22-25-24-21-9-8-20(26-28(21)22)19-7-4-12-23-15-19/h4,7-9,12,15,17-18H,1-3,5-6,10-11,13-14,16H2
InChIKeyGBINDUWKQNCRBN-UHFFFAOYSA-N
XLogP3.95
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126913121) is 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cncc(-c2ccc3nnc(C4CCN(CC5CCCCC5)CC4)n3n2)c1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GBINDUWKQNCRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-2-5-17(6-3-1)16-27-13-10-18(11-14-27)22-25-24-21-9-8-20(26-28(21)22)19-7-4-12-23-15-19/h4,7-9,12,15,17-18H,1-3,5-6,10-11,13-14,16H2.
What are the key properties of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 376.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126913121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).