6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

C17H11ClN6O — CID 7217789

IUPAC6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H11ClN6O/c18-15-6-4-12(9-19-15)17(25)21-13-3-1-2-11(8-13)14-5-7-16-22-20-10-24(16)23-14/h1-10H,(H,21,25)
InChIKeyMUCJOZFKVWNVQZ-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.09
Rot. Bonds3

About 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 7217789) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
PubChem CID7217789
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H11ClN6O/c18-15-6-4-12(9-19-15)17(25)21-13-3-1-2-11(8-13)14-5-7-16-22-20-10-24(16)23-14/h1-10H,(H,21,25)
InChIKeyMUCJOZFKVWNVQZ-UHFFFAOYSA-N
XLogP3.09
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879529
N-[1-(3-Chlorophenyl)-3-Methyl-1h-Pyrazol-5-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 70496411
N-(3-chlorophenyl)-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71624791
(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551721
4-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518504
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
N-(3,5-dichloropyridin-4-yl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227397
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
US10774086, Example 7
CID 134551551
US10774086, Example 2
CID 134551579

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (CID 7217789) is 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is MUCJOZFKVWNVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c18-15-6-4-12(9-19-15)17(25)21-13-3-1-2-11(8-13)14-5-7-16-22-20-10-24(16)23-14/h1-10H,(H,21,25).
What are the key properties of 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 350.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7217789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).