azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C14H17Cl2N7O — CID 68979981

IUPACazane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN(C)CCc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1.N
InChIInChI=1S/C14H14Cl2N6O.H3N/c1-22(2)6-5-11-12(19-14-13(18-11)20-23-21-14)17-8-3-4-9(15)10(16)7-8;/h3-4,7H,5-6H2,1-2H3,(H,17,19,21);1H3
InChIKeyIUGHPPXWEOAJCB-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.33
Rot. Bonds5

About azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 68979981) has the molecular formula C14H17Cl2N7O and a molecular weight of 370.24 g/mol. Its IUPAC name is azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Nameazane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID68979981
Molecular FormulaC14H17Cl2N7O
Molecular Weight370.24 g/mol
Exact Mass369.09
IUPAC Nameazane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN(C)CCc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1.N
InChIInChI=1S/C14H14Cl2N6O.H3N/c1-22(2)6-5-11-12(19-14-13(18-11)20-23-21-14)17-8-3-4-9(15)10(16)7-8;/h3-4,7H,5-6H2,1-2H3,(H,17,19,21);1H3
InChIKeyIUGHPPXWEOAJCB-UHFFFAOYSA-N
XLogP3.33
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 68979981) is azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is CN(C)CCc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1.N.
What is the InChIKey of azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is IUGHPPXWEOAJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6O.H3N/c1-22(2)6-5-11-12(19-14-13(18-11)20-23-21-14)17-8-3-4-9(15)10(16)7-8;/h3-4,7H,5-6H2,1-2H3,(H,17,19,21);1H3.
What are the key properties of azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 370.24 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 68979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).