2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide

C19H22N6O — CID 134801106

IUPAC2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C19H22N6O/c1-13(2)19(26)20-15-10-11-24(12-15)17-9-8-16-21-22-18(25(16)23-17)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3,(H,20,26)
InChIKeyWCITWPZYPNVOFV-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide

2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide (PubChem CID 134801106) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
PubChem CID134801106
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C19H22N6O/c1-13(2)19(26)20-15-10-11-24(12-15)17-9-8-16-21-22-18(25(16)23-17)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3,(H,20,26)
InChIKeyWCITWPZYPNVOFV-UHFFFAOYSA-N
XLogP2.14
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide (CID 134801106) is 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide is CC(C)C(=O)NC1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1.
What is the InChIKey of 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is WCITWPZYPNVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(2)19(26)20-15-10-11-24(12-15)17-9-8-16-21-22-18(25(16)23-17)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3,(H,20,26).
What are the key properties of 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 350.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 134801106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).