3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine

C17H15Cl2N7O — CID 149049851

IUPAC3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNc1nc(N2CC3C(N)C3C2)c(-c2nnco2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N7O/c18-10-3-1-2-7(11(10)19)13-15(21)24-16(14(23-13)17-25-22-6-27-17)26-4-8-9(5-26)12(8)20/h1-3,6,8-9,12H,4-5,20H2,(H2,21,24)
InChIKeyQJPJHTDXRXENJP-UHFFFAOYSA-N
MW404.26 g/mol
LogP2.48
Rot. Bonds3

About 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine

3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 149049851) has the molecular formula C17H15Cl2N7O and a molecular weight of 404.26 g/mol. Its IUPAC name is 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID149049851
Molecular FormulaC17H15Cl2N7O
Molecular Weight404.26 g/mol
Exact Mass403.07
IUPAC Name3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNc1nc(N2CC3C(N)C3C2)c(-c2nnco2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N7O/c18-10-3-1-2-7(11(10)19)13-15(21)24-16(14(23-13)17-25-22-6-27-17)26-4-8-9(5-26)12(8)20/h1-3,6,8-9,12H,4-5,20H2,(H2,21,24)
InChIKeyQJPJHTDXRXENJP-UHFFFAOYSA-N
XLogP2.48
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
CID 166658441
[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
2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 156805975
6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine
CID 134183200
6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 160542934
6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 162482016
3-(2,3-dichlorophenyl)-6-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-amine;methane
CID 142543281
6-(2,3-dichlorophenyl)-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]-1,2,4-triazin-5-amine;hydrochloride
CID 126643423
6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 151550928
2-amino-3-(2,3-dichlorophenyl)-6,7,8,9-tetrahydropyrazino[2,3-c]azepin-5-one
CID 159664873
3-bromo-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine
CID 157262934
6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 138466405

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 149049851) is 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine is Nc1nc(N2CC3C(N)C3C2)c(-c2nnco2)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is QJPJHTDXRXENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N7O/c18-10-3-1-2-7(11(10)19)13-15(21)24-16(14(23-13)17-25-22-6-27-17)26-4-8-9(5-26)12(8)20/h1-3,6,8-9,12H,4-5,20H2,(H2,21,24).
What are the key properties of 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 404.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 149049851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).