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

C17H24N6O — CID 134802748

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C17H24N6O/c1-17(2,3)16(24)18-12-8-9-22(10-12)14-7-6-13-19-20-15(11-4-5-11)23(13)21-14/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,18,24)
InChIKeyZWLFMXNMLQRRFS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds3

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 134802748) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID134802748
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C17H24N6O/c1-17(2,3)16(24)18-12-8-9-22(10-12)14-7-6-13-19-20-15(11-4-5-11)23(13)21-14/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,18,24)
InChIKeyZWLFMXNMLQRRFS-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903701
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
N-(3-methylbutyl)-1-[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 29139783
N-cyclopropyl-1-[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 39309029
2-[3-Methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53567949
N-cyclopentyl-2-[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53568777
N-cyclopentyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 53623500
N-cyclohexyl-4-{3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine-1-carboxamide
CID 25854745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 134802748) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is ZWLFMXNMLQRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-17(2,3)16(24)18-12-8-9-22(10-12)14-7-6-13-19-20-15(11-4-5-11)23(13)21-14/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,18,24).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 328.42 g/mol, XLogP of 1.74, 3 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)pyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134802748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).