6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile

C10H12FN5 — CID 141208354

IUPAC6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CC[C@@H](N)[C@@H](F)C2)nn1
InChIInChI=1S/C10H12FN5/c11-8-6-16(4-3-9(8)13)10-2-1-7(5-12)14-15-10/h1-2,8-9H,3-4,6,13H2/t8-,9+/m0/s1
InChIKeyYEFQDTJIYJCFBQ-DTWKUNHWSA-N
MW221.24 g/mol
LogP0.22
Rot. Bonds1

About 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile

6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 141208354) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID141208354
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CC[C@@H](N)[C@@H](F)C2)nn1
InChIInChI=1S/C10H12FN5/c11-8-6-16(4-3-9(8)13)10-2-1-7(5-12)14-15-10/h1-2,8-9H,3-4,6,13H2/t8-,9+/m0/s1
InChIKeyYEFQDTJIYJCFBQ-DTWKUNHWSA-N
XLogP0.22
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
3-ethynyl-6-(3-fluoro-4-propan-2-ylpiperidin-1-yl)pyridazine
CID 89449483
4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
CID 133434346
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418949
6-(1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridazine-3-carbonitrile
CID 133420764
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 79867314
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-amine
CID 83832620

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile (CID 141208354) is 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CC[C@@H](N)[C@@H](F)C2)nn1.
What is the InChIKey of 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is YEFQDTJIYJCFBQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H12FN5/c11-8-6-16(4-3-9(8)13)10-2-1-7(5-12)14-15-10/h1-2,8-9H,3-4,6,13H2/t8-,9+/m0/s1.
What are the key properties of 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile?
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 221.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 141208354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).