N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide

C19H21ClN6O — CID 166050672

IUPACN-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
SMILESO=C(Cc1nnc2ccc(Cl)nn12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN6O/c20-16-6-7-17-22-23-18(26(17)24-16)12-19(27)21-15-8-10-25(11-9-15)13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,21,27)
InChIKeyXRDQMXPVRSEGGB-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.10
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide (PubChem CID 166050672) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
PubChem CID166050672
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
SMILESO=C(Cc1nnc2ccc(Cl)nn12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN6O/c20-16-6-7-17-22-23-18(26(17)24-16)12-19(27)21-15-8-10-25(11-9-15)13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,21,27)
InChIKeyXRDQMXPVRSEGGB-UHFFFAOYSA-N
XLogP2.10
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904134
N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane
CID 155778700
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide (CID 166050672) is N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide is O=C(Cc1nnc2ccc(Cl)nn12)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
The InChIKey is XRDQMXPVRSEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c20-16-6-7-17-22-23-18(26(17)24-16)12-19(27)21-15-8-10-25(11-9-15)13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,21,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide has a molecular weight of 384.87 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide is sourced from PubChem (CID 166050672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).