N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide

C17H24N6O — CID 134803872

IUPACN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide
SMILESCc1nnc2ccc(N3CCCC(NC(=O)C4CCCC4)C3)nn12
InChIInChI=1S/C17H24N6O/c1-12-19-20-15-8-9-16(21-23(12)15)22-10-4-7-14(11-22)18-17(24)13-5-2-3-6-13/h8-9,13-14H,2-7,10-11H2,1H3,(H,18,24)
InChIKeyXJWBKPKKXKUOPJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.71
Rot. Bonds3

About N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide (PubChem CID 134803872) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide
PubChem CID134803872
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide
SMILESCc1nnc2ccc(N3CCCC(NC(=O)C4CCCC4)C3)nn12
InChIInChI=1S/C17H24N6O/c1-12-19-20-15-8-9-16(21-23(12)15)22-10-4-7-14(11-22)18-17(24)13-5-2-3-6-13/h8-9,13-14H,2-7,10-11H2,1H3,(H,18,24)
InChIKeyXJWBKPKKXKUOPJ-UHFFFAOYSA-N
XLogP1.71
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide (CID 134803872) is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide is Cc1nnc2ccc(N3CCCC(NC(=O)C4CCCC4)C3)nn12.
What is the InChIKey of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is XJWBKPKKXKUOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-19-20-15-8-9-16(21-23(12)15)22-10-4-7-14(11-22)18-17(24)13-5-2-3-6-13/h8-9,13-14H,2-7,10-11H2,1H3,(H,18,24).
What are the key properties of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134803872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).