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

C21H20N6O — CID 7532742

IUPACN-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1
InChIInChI=1S/C21H20N6O/c1-2-3-10-20(28)23-16-8-6-7-15(14-16)17-11-12-19-24-25-21(27(19)26-17)18-9-4-5-13-22-18/h4-9,11-14H,2-3,10H2,1H3,(H,23,28)
InChIKeyFMFGLTQDBAUDEA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.98
Rot. Bonds6

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

N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (PubChem CID 7532742) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
PubChem CID7532742
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1
InChIInChI=1S/C21H20N6O/c1-2-3-10-20(28)23-16-8-6-7-15(14-16)17-11-12-19-24-25-21(27(19)26-17)18-9-4-5-13-22-18/h4-9,11-14H,2-3,10H2,1H3,(H,23,28)
InChIKeyFMFGLTQDBAUDEA-UHFFFAOYSA-N
XLogP3.98
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532764
2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532743
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
CID 7524267
3-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16821322
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-2-carboxamide
CID 16873455
6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532820
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532699
2-phenoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873269
4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873824
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532509
2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873067

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The IUPAC name of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (CID 7532742) is N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.
What is the SMILES notation for N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The canonical SMILES for N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is CCCCC(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1.
What is the InChIKey of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The InChIKey is FMFGLTQDBAUDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-3-10-20(28)23-16-8-6-7-15(14-16)17-11-12-19-24-25-21(27(19)26-17)18-9-4-5-13-22-18/h4-9,11-14H,2-3,10H2,1H3,(H,23,28).
What are the key properties of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide has a molecular weight of 372.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is sourced from PubChem (CID 7532742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).