N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide

C16H17FN6O — CID 43957796

IUPACN-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide
SMILESCCNc1ccc2nnc(CCNC(=O)c3ccccc3F)n2n1
InChIInChI=1S/C16H17FN6O/c1-2-18-13-7-8-14-20-21-15(23(14)22-13)9-10-19-16(24)11-5-3-4-6-12(11)17/h3-8H,2,9-10H2,1H3,(H,18,22)(H,19,24)
InChIKeyRJJVDPPMCBWETI-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.67
Rot. Bonds6

About N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide

N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide (PubChem CID 43957796) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide
PubChem CID43957796
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide
SMILESCCNc1ccc2nnc(CCNC(=O)c3ccccc3F)n2n1
InChIInChI=1S/C16H17FN6O/c1-2-18-13-7-8-14-20-21-15(23(14)22-13)9-10-19-16(24)11-5-3-4-6-12(11)17/h3-8H,2,9-10H2,1H3,(H,18,22)(H,19,24)
InChIKeyRJJVDPPMCBWETI-UHFFFAOYSA-N
XLogP1.67
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957783
2-fluoro-N-[2-[6-[3-(2-oxopiperidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957575
N-[2-[6-(butylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 7207669
2-fluoro-N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957831
N-[2-[6-(2,2-diethoxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-fluorobenzamide
CID 43957658
N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide
CID 43957630
3-fluoro-N-[2-[6-[(4-methylphenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957646
3-fluoro-N-[2-[6-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957577
N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide
CID 43957703
3-fluoro-N-[2-[6-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957622
N-[2-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide
CID 43957668
N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide
CID 43957698

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide (CID 43957796) is N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide is CCNc1ccc2nnc(CCNC(=O)c3ccccc3F)n2n1.
What is the InChIKey of N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide?
The InChIKey is RJJVDPPMCBWETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-2-18-13-7-8-14-20-21-15(23(14)22-13)9-10-19-16(24)11-5-3-4-6-12(11)17/h3-8H,2,9-10H2,1H3,(H,18,22)(H,19,24).
What are the key properties of N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide?
N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide has a molecular weight of 328.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 43957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).