6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C19H17ClN6O — CID 633278

IUPAC6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C19H17ClN6O/c1-10-5-4-6-15(12(10)3)22-17-16(23-18-19(24-17)26-27-25-18)21-13-8-7-11(2)14(20)9-13/h4-9H,1-3H3,(H,21,23,25)(H,22,24,26)
InChIKeyFRFXFUNIZQXNBH-UHFFFAOYSA-N
MW380.84 g/mol
LogP5.08
Rot. Bonds4

About 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 633278) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID633278
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C19H17ClN6O/c1-10-5-4-6-15(12(10)3)22-17-16(23-18-19(24-17)26-27-25-18)21-13-8-7-11(2)14(20)9-13/h4-9H,1-3H3,(H,21,23,25)(H,22,24,26)
InChIKeyFRFXFUNIZQXNBH-UHFFFAOYSA-N
XLogP5.08
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.84
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(4-chlorophenyl)-5-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 15991274
N5-(3-Chloro-4-methylphenyl)-N6-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-B]pyrazine-5,6-diamine
CID 16014614
4-N-[3-(2,1,3-benzoxadiazol-5-yl)-5-chlorophenyl]-6-methylpyrimidine-2,4-diamine
CID 137652349
6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 762194
(3-Methylphenyl){6-[(3-methylphenyl)amino](1,2,5-oxadiazolo[3,4-e]pyrazin-5-yl)}amine
CID 698539
N-(2-fluorophenyl)-N'-(4-methylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 702322
N,N'-bis(2-methylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1973280
5-N-(2-fluorophenyl)-6-N-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482674
5-N-(2-fluorophenyl)-6-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482694
N5-(2,3-Dimethylphenyl)-N6-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-B]pyrazine-5,6-diamine
CID 1079453
N-(2,3-dichlorophenyl)-N'-(2,3-dimethylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2833227
5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 155560200

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 633278) is 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1Cl.
What is the InChIKey of 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is FRFXFUNIZQXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-10-5-4-6-15(12(10)3)22-17-16(23-18-19(24-17)26-27-25-18)21-13-8-7-11(2)14(20)9-13/h4-9H,1-3H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 380.84 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-methylphenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 633278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).