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

C15H15F2N7 — CID 124868498

IUPACN-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCN1CC[C@H](Nc2ccc3nnnn3n2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N7/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+/m0/s1
InChIKeyKUOXVKOLPLKGTG-SWLSCSKDSA-N
MW331.33 g/mol
LogP1.65
Rot. Bonds3

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

N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 124868498) has the molecular formula C15H15F2N7 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID124868498
Molecular FormulaC15H15F2N7
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC NameN-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCN1CC[C@H](Nc2ccc3nnnn3n2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N7/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+/m0/s1
InChIKeyKUOXVKOLPLKGTG-SWLSCSKDSA-N
XLogP1.65
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 124856956
N-[1-tert-butyl-2-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133450695
methyl 6-[[(2R,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 100693245
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine
CID 75496679
N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136545963
2-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 98874644
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137078060
N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 79033610
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 129378868
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
N-(2,2-dimethylcyclopropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78968755

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 124868498) is N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine is CN1CC[C@H](Nc2ccc3nnnn3n2)[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KUOXVKOLPLKGTG-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H15F2N7/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+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 331.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 124868498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).