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

C17H19N5O — CID 7532341

IUPACN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C17H19N5O/c1-3-4-5-17(23)18-14-8-6-13(7-9-14)15-10-11-16-20-19-12(2)22(16)21-15/h6-11H,3-5H2,1-2H3,(H,18,23)
InChIKeySDEAQNOVRFMPBS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.23
Rot. Bonds5

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

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (PubChem CID 7532341) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
PubChem CID7532341
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C17H19N5O/c1-3-4-5-17(23)18-14-8-6-13(7-9-14)15-10-11-16-20-19-12(2)22(16)21-15/h6-11H,3-5H2,1-2H3,(H,18,23)
InChIKeySDEAQNOVRFMPBS-UHFFFAOYSA-N
XLogP3.23
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036732
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
CID 7532343
4-tert-butyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532390
2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036769
2-ethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532665
1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 121036797
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532509
N-(4-methylphenyl)pentanamide
CID 3662375
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532742
N-(4-acetamidophenyl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 18572241
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
CID 7532386
4-phenyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 16872951

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (CID 7532341) is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The canonical SMILES for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1.
What is the InChIKey of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The InChIKey is SDEAQNOVRFMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-4-5-17(23)18-14-8-6-13(7-9-14)15-10-11-16-20-19-12(2)22(16)21-15/h6-11H,3-5H2,1-2H3,(H,18,23).
What are the key properties of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide has a molecular weight of 309.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is sourced from PubChem (CID 7532341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).