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

C20H28N6O — CID 134802053

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)CC1)C1CCCCC1
InChIInChI=1S/C20H28N6O/c27-20(15-4-2-1-3-5-15)21-16-10-12-25(13-11-16)18-9-8-17-22-23-19(14-6-7-14)26(17)24-18/h8-9,14-16H,1-7,10-13H2,(H,21,27)
InChIKeyKKNQQFZCUOXURJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.67
Rot. Bonds4

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 134802053) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID134802053
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)CC1)C1CCCCC1
InChIInChI=1S/C20H28N6O/c27-20(15-4-2-1-3-5-15)21-16-10-12-25(13-11-16)18-9-8-17-22-23-19(14-6-7-14)26(17)24-18/h8-9,14-16H,1-7,10-13H2,(H,21,27)
InChIKeyKKNQQFZCUOXURJ-UHFFFAOYSA-N
XLogP2.67
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903730
1-[3-[[3-[3-(4-Methylpiperidin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl]pyrrolidin-2-one
CID 20957466

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide (CID 134802053) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is KKNQQFZCUOXURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(15-4-2-1-3-5-15)21-16-10-12-25(13-11-16)18-9-8-17-22-23-19(14-6-7-14)26(17)24-18/h8-9,14-16H,1-7,10-13H2,(H,21,27).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.67, 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-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 134802053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).