6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C20H27N7O — CID 126911815

IUPAC6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(Cc4c5c(nn4C)CCCC5)CC3)n2n1
InChIInChI=1S/C20H27N7O/c1-25-17(15-5-3-4-6-16(15)23-25)13-26-11-9-14(10-12-26)20-22-21-18-7-8-19(28-2)24-27(18)20/h7-8,14H,3-6,9-13H2,1-2H3
InChIKeyZRALOUKFKUQPDX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.12
Rot. Bonds4

About 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911815) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911815
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(Cc4c5c(nn4C)CCCC5)CC3)n2n1
InChIInChI=1S/C20H27N7O/c1-25-17(15-5-3-4-6-16(15)23-25)13-26-11-9-14(10-12-26)20-22-21-18-7-8-19(28-2)24-27(18)20/h7-8,14H,3-6,9-13H2,1-2H3
InChIKeyZRALOUKFKUQPDX-UHFFFAOYSA-N
XLogP2.12
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911815) is 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(C3CCN(Cc4c5c(nn4C)CCCC5)CC3)n2n1.
What is the InChIKey of 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZRALOUKFKUQPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-25-17(15-5-3-4-6-16(15)23-25)13-26-11-9-14(10-12-26)20-22-21-18-7-8-19(28-2)24-27(18)20/h7-8,14H,3-6,9-13H2,1-2H3.
What are the key properties of 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 381.48 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).