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

C19H19FN6O — CID 134801521

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN6O/c20-14-5-3-13(4-6-14)19(27)21-15-9-10-25(11-15)17-8-7-16-22-23-18(12-1-2-12)26(16)24-17/h3-8,12,15H,1-2,9-11H2,(H,21,27)
InChIKeyBTLVBOJGGYVVSJ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.15
Rot. Bonds4

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide (PubChem CID 134801521) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide
PubChem CID134801521
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN6O/c20-14-5-3-13(4-6-14)19(27)21-15-9-10-25(11-15)17-8-7-16-22-23-18(12-1-2-12)26(16)24-17/h3-8,12,15H,1-2,9-11H2,(H,21,27)
InChIKeyBTLVBOJGGYVVSJ-UHFFFAOYSA-N
XLogP2.15
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide (CID 134801521) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide is O=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide?
The InChIKey is BTLVBOJGGYVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-14-5-3-13(4-6-14)19(27)21-15-9-10-25(11-15)17-8-7-16-22-23-18(12-1-2-12)26(16)24-17/h3-8,12,15H,1-2,9-11H2,(H,21,27).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide has a molecular weight of 366.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 134801521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).