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

C19H26N6O — CID 134802975

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCC1
InChIInChI=1S/C19H26N6O/c26-19(14-4-1-2-5-14)20-15-6-3-11-24(12-15)17-10-9-16-21-22-18(13-7-8-13)25(16)23-17/h9-10,13-15H,1-8,11-12H2,(H,20,26)
InChIKeyRFICHSFJDLUKNA-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.28
Rot. Bonds4

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide (PubChem CID 134802975) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide
PubChem CID134802975
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCC1
InChIInChI=1S/C19H26N6O/c26-19(14-4-1-2-5-14)20-15-6-3-11-24(12-15)17-10-9-16-21-22-18(13-7-8-13)25(16)23-17/h9-10,13-15H,1-8,11-12H2,(H,20,26)
InChIKeyRFICHSFJDLUKNA-UHFFFAOYSA-N
XLogP2.28
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-methyl-2-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}butanoate
CID 20903724
1-(3,5-Dimethylpiperidin-1-YL)-3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propan-1-one
CID 20904042
N-isopropyl-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903699
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
CID 20903700
N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903711
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903705
N-(sec-butyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903680
N-(3-isopropoxypropyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903731
N-cyclohexyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53608569
N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53614122
3-[6-(4-Methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]-1-(piperidin-1-YL)propan-1-one
CID 20903698
N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903701

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide (CID 134802975) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide is O=C(NC1CCCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCC1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is RFICHSFJDLUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(14-4-1-2-5-14)20-15-6-3-11-24(12-15)17-10-9-16-21-22-18(13-7-8-13)25(16)23-17/h9-10,13-15H,1-8,11-12H2,(H,20,26).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134802975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).