N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C18H21FN6 — CID 176500547

IUPACN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCC(c2ccccc2F)N2CCCC2)c2nncn2n1
InChIInChI=1S/C18H21FN6/c1-13-10-16(18-22-21-12-25(18)23-13)20-11-17(24-8-4-5-9-24)14-6-2-3-7-15(14)19/h2-3,6-7,10,12,17,20H,4-5,8-9,11H2,1H3
InChIKeyYXPYWPGBZPTFDX-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176500547) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176500547
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC NameN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCC(c2ccccc2F)N2CCCC2)c2nncn2n1
InChIInChI=1S/C18H21FN6/c1-13-10-16(18-22-21-12-25(18)23-13)20-11-17(24-8-4-5-9-24)14-6-2-3-7-15(14)19/h2-3,6-7,10,12,17,20H,4-5,8-9,11H2,1H3
InChIKeyYXPYWPGBZPTFDX-UHFFFAOYSA-N
XLogP2.82
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506339
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine
CID 97151283
4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide
CID 74232799
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
CID 131908439
[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135093411
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
8-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176502925
2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
CID 133370616
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176500547) is N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCC(c2ccccc2F)N2CCCC2)c2nncn2n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is YXPYWPGBZPTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-13-10-16(18-22-21-12-25(18)23-13)20-11-17(24-8-4-5-9-24)14-6-2-3-7-15(14)19/h2-3,6-7,10,12,17,20H,4-5,8-9,11H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 340.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176500547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).