N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine

C9H12FN3 — CID 131160565

IUPACN-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine
SMILESF[C@H]1CCC[C@H]1Nc1cccnn1
InChIInChI=1S/C9H12FN3/c10-7-3-1-4-8(7)12-9-5-2-6-11-13-9/h2,5-8H,1,3-4H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyTWAJZBMBLSQUFL-JGVFFNPUSA-N
MW181.21 g/mol
LogP1.78
Rot. Bonds2

About N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine

N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine (PubChem CID 131160565) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine
PubChem CID131160565
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine
SMILESF[C@H]1CCC[C@H]1Nc1cccnn1
InChIInChI=1S/C9H12FN3/c10-7-3-1-4-8(7)12-9-5-2-6-11-13-9/h2,5-8H,1,3-4H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyTWAJZBMBLSQUFL-JGVFFNPUSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine (CID 131160565) is N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine is F[C@H]1CCC[C@H]1Nc1cccnn1.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine?
The InChIKey is TWAJZBMBLSQUFL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H12FN3/c10-7-3-1-4-8(7)12-9-5-2-6-11-13-9/h2,5-8H,1,3-4H2,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine?
N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopentyl]pyridazin-3-amine is sourced from PubChem (CID 131160565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).