N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C19H21FN6O — CID 20903831

IUPACN-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCN(C(=O)CCc1nnc2ccc(N3CCCC3)nn12)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6O/c1-24(15-6-4-14(20)5-7-15)19(27)11-10-17-22-21-16-8-9-18(23-26(16)17)25-12-2-3-13-25/h4-9H,2-3,10-13H2,1H3
InChIKeyKMQOXMKHLNGLCA-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.46
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20903831) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20903831
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCN(C(=O)CCc1nnc2ccc(N3CCCC3)nn12)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6O/c1-24(15-6-4-14(20)5-7-15)19(27)11-10-17-22-21-16-8-9-18(23-26(16)17)25-12-2-3-13-25/h4-9H,2-3,10-13H2,1H3
InChIKeyKMQOXMKHLNGLCA-UHFFFAOYSA-N
XLogP2.46
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20903831) is N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is CN(C(=O)CCc1nnc2ccc(N3CCCC3)nn12)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is KMQOXMKHLNGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-24(15-6-4-14(20)5-7-15)19(27)11-10-17-22-21-16-8-9-18(23-26(16)17)25-12-2-3-13-25/h4-9H,2-3,10-13H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 368.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20903831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).