N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C17H24N6O — CID 39309029

IUPACN-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(C)c1nnc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn12
InChIInChI=1S/C17H24N6O/c1-11(2)16-20-19-14-5-6-15(21-23(14)16)22-9-7-12(8-10-22)17(24)18-13-3-4-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,24)
InChIKeyPPRQLRDDWFJOPS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds4

About N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 39309029) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID39309029
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(C)c1nnc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn12
InChIInChI=1S/C17H24N6O/c1-11(2)16-20-19-14-5-6-15(21-23(14)16)22-9-7-12(8-10-22)17(24)18-13-3-4-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,24)
InChIKeyPPRQLRDDWFJOPS-UHFFFAOYSA-N
XLogP1.74
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 39309029) is N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is CC(C)c1nnc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn12.
What is the InChIKey of N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is PPRQLRDDWFJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)16-20-19-14-5-6-15(21-23(14)16)22-9-7-12(8-10-22)17(24)18-13-3-4-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,24).
What are the key properties of N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 39309029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).