N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide

C17H17ClN6O — CID 171714416

IUPACN-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc3nnc(Cl)n3n2)CC1)c1ccccc1
InChIInChI=1S/C17H17ClN6O/c18-17-21-20-14-6-7-15(22-24(14)17)23-10-8-13(9-11-23)19-16(25)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,19,25)
InChIKeyDKIJKLQNECCYMJ-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.18
Rot. Bonds3

About N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide

N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide (PubChem CID 171714416) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
PubChem CID171714416
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc3nnc(Cl)n3n2)CC1)c1ccccc1
InChIInChI=1S/C17H17ClN6O/c18-17-21-20-14-6-7-15(22-24(14)17)23-10-8-13(9-11-23)19-16(25)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,19,25)
InChIKeyDKIJKLQNECCYMJ-UHFFFAOYSA-N
XLogP2.18
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134801544
4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134803479
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclohexylpiperidine-4-carboxamide
CID 53038515
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 50783122
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea
CID 134803797

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide (CID 171714416) is N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccc3nnc(Cl)n3n2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
The InChIKey is DKIJKLQNECCYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-17-21-20-14-6-7-15(22-24(14)17)23-10-8-13(9-11-23)19-16(25)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,19,25).
What are the key properties of N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide has a molecular weight of 356.82 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 171714416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).