N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine

C15H15ClFN7 — CID 124856956

IUPACN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCN1CC[C@@H](Nc2ccc3nnnn3n2)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFN7/c1-23-7-6-12(15(23)9-2-3-10(16)11(17)8-9)18-13-4-5-14-19-21-22-24(14)20-13/h2-5,8,12,15H,6-7H2,1H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyWCIVCITWJSAKSW-IUODEOHRSA-N
MW347.79 g/mol
LogP2.17
Rot. Bonds3

About N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 124856956) has the molecular formula C15H15ClFN7 and a molecular weight of 347.79 g/mol. Its IUPAC name is N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID124856956
Molecular FormulaC15H15ClFN7
Molecular Weight347.79 g/mol
Exact Mass347.11
IUPAC NameN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCN1CC[C@@H](Nc2ccc3nnnn3n2)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFN7/c1-23-7-6-12(15(23)9-2-3-10(16)11(17)8-9)18-13-4-5-14-19-21-22-24(14)20-13/h2-5,8,12,15H,6-7H2,1H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyWCIVCITWJSAKSW-IUODEOHRSA-N
XLogP2.17
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 124856956) is N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine is CN1CC[C@@H](Nc2ccc3nnnn3n2)[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is WCIVCITWJSAKSW-IUODEOHRSA-N. The full InChI is InChI=1S/C15H15ClFN7/c1-23-7-6-12(15(23)9-2-3-10(16)11(17)8-9)18-13-4-5-14-19-21-22-24(14)20-13/h2-5,8,12,15H,6-7H2,1H3,(H,18,20)/t12-,15-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 347.79 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 124856956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).