3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one

C15H14Cl2N4OS — CID 139509479

IUPAC3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one
SMILESNC1C2CN(c3ncc(Sc4cccc(Cl)c4Cl)[nH]c3=O)CC12
InChIInChI=1S/C15H14Cl2N4OS/c16-9-2-1-3-10(12(9)17)23-11-4-19-14(15(22)20-11)21-5-7-8(6-21)13(7)18/h1-4,7-8,13H,5-6,18H2,(H,20,22)
InChIKeyTVNBISXYSAIDKO-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.62
Rot. Bonds3

About 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one

3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one (PubChem CID 139509479) has the molecular formula C15H14Cl2N4OS and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one
PubChem CID139509479
Molecular FormulaC15H14Cl2N4OS
Molecular Weight369.28 g/mol
Exact Mass368.03
IUPAC Name3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one
SMILESNC1C2CN(c3ncc(Sc4cccc(Cl)c4Cl)[nH]c3=O)CC12
InChIInChI=1S/C15H14Cl2N4OS/c16-9-2-1-3-10(12(9)17)23-11-4-19-14(15(22)20-11)21-5-7-8(6-21)13(7)18/h1-4,7-8,13H,5-6,18H2,(H,20,22)
InChIKeyTVNBISXYSAIDKO-UHFFFAOYSA-N
XLogP2.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 156711754
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362565
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362567
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-1H-pyrazin-2-one
CID 139509493
3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
CID 139509539
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazin-2-one
CID 139509490
3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-[(3-fluoro-1H-indol-4-yl)sulfanyl]-1H-pyrazin-2-one
CID 139509589
3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 161252551
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 139509488
3-chloro-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
CID 139509543
[6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150036652
6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
CID 166658441

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one?
The IUPAC name of 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one (CID 139509479) is 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one is NC1C2CN(c3ncc(Sc4cccc(Cl)c4Cl)[nH]c3=O)CC12.
What is the InChIKey of 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one?
The InChIKey is TVNBISXYSAIDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4OS/c16-9-2-1-3-10(12(9)17)23-11-4-19-14(15(22)20-11)21-5-7-8(6-21)13(7)18/h1-4,7-8,13H,5-6,18H2,(H,20,22).
What are the key properties of 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one?
3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one has a molecular weight of 369.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one is sourced from PubChem (CID 139509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).