(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one

C10H14FN3O — CID 129493261

IUPAC(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESN[C@@H]1CCc2nn(CCF)c(=O)cc2C1
InChIInChI=1S/C10H14FN3O/c11-3-4-14-10(15)6-7-5-8(12)1-2-9(7)13-14/h6,8H,1-5,12H2/t8-/m1/s1
InChIKeyJCAWRCRYNHVIIU-MRVPVSSYSA-N
MW211.24 g/mol
LogP0.03
Rot. Bonds2

About (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one

(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 129493261) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID129493261
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESN[C@@H]1CCc2nn(CCF)c(=O)cc2C1
InChIInChI=1S/C10H14FN3O/c11-3-4-14-10(15)6-7-5-8(12)1-2-9(7)13-14/h6,8H,1-5,12H2/t8-/m1/s1
InChIKeyJCAWRCRYNHVIIU-MRVPVSSYSA-N
XLogP0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253327
2-ethyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755459
6-Amino-2,3,5,6,7,8-hexahydrocinnolin-3-one dihydrochloride
CID 138991464
6-amino-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199715
2-ethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253865
3,3,3-trifluoro-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 92128164
6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199723
2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 121199744
2,2,2-trifluoro-N-(2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)ethyl)acetamide
CID 122277358
(6S)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 129493264
6-(cyclopropylamino)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 89519675
2,2-dimethyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
CID 92128076

Frequently Asked Questions

What is the IUPAC name of (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one (CID 129493261) is (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one is N[C@@H]1CCc2nn(CCF)c(=O)cc2C1.
What is the InChIKey of (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is JCAWRCRYNHVIIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-3-4-14-10(15)6-7-5-8(12)1-2-9(7)13-14/h6,8H,1-5,12H2/t8-/m1/s1.
What are the key properties of (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 211.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 129493261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).