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

C19H24FN7O — CID 43957703

IUPACN-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide
SMILESCN(C)CCCNc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1
InChIInChI=1S/C19H24FN7O/c1-26(2)13-3-11-21-16-8-9-17-23-24-18(27(17)25-16)10-12-22-19(28)14-4-6-15(20)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,21,25)(H,22,28)
InChIKeyIHOYXXIGLIHQAH-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.60
Rot. Bonds9

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

N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide (PubChem CID 43957703) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide
PubChem CID43957703
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC NameN-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide
SMILESCN(C)CCCNc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1
InChIInChI=1S/C19H24FN7O/c1-26(2)13-3-11-21-16-8-9-17-23-24-18(27(17)25-16)10-12-22-19(28)14-4-6-15(20)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,21,25)(H,22,28)
InChIKeyIHOYXXIGLIHQAH-UHFFFAOYSA-N
XLogP1.60
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide
CID 43957630
N-[2-[6-(butylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 7207669
N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
CID 43958023
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[2-[6-(ethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-fluorobenzamide
CID 43957796
3-fluoro-N-[2-[6-[(4-methylphenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957646
3-chloro-N-[2-[6-(3-propan-2-yloxypropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957589
4-fluoro-N-[2-[6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 16819641
N-[2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzamide
CID 52903854
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
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-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide (CID 43957703) is N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide is CN(C)CCCNc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1.
What is the InChIKey of N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide?
The InChIKey is IHOYXXIGLIHQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-26(2)13-3-11-21-16-8-9-17-23-24-18(27(17)25-16)10-12-22-19(28)14-4-6-15(20)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,21,25)(H,22,28).
What are the key properties of N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide?
N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide has a molecular weight of 385.45 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 43957703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).