5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C19H15Cl2N7O — CID 92847110

IUPAC5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2N/N=C\c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C19H15Cl2N7O/c1-10-3-6-14(7-11(10)2)23-16-17(25-19-18(24-16)27-29-28-19)26-22-9-12-4-5-13(20)8-15(12)21/h3-9H,1-2H3,(H,23,24,27)(H,25,26,28)/b22-9-
InChIKeyNQBUJPRIXIZWBX-AFPJDJCSSA-N
MW428.28 g/mol
LogP5.13
Rot. Bonds5

About 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 92847110) has the molecular formula C19H15Cl2N7O and a molecular weight of 428.28 g/mol. Its IUPAC name is 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID92847110
Molecular FormulaC19H15Cl2N7O
Molecular Weight428.28 g/mol
Exact Mass427.07
IUPAC Name5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2N/N=C\c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C19H15Cl2N7O/c1-10-3-6-14(7-11(10)2)23-16-17(25-19-18(24-16)27-29-28-19)26-22-9-12-4-5-13(20)8-15(12)21/h3-9H,1-2H3,(H,23,24,27)(H,25,26,28)/b22-9-
InChIKeyNQBUJPRIXIZWBX-AFPJDJCSSA-N
XLogP5.13
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.28
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3098963
6-N-(3-bromophenyl)-5-N-[(2,5-dibromophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4583723
4-[(E)-[[6-(4-chloroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135536213
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
6-N-(3-bromophenyl)-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4913938
5-N-[(5-bromo-2-methoxyphenyl)methylideneamino]-6-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 85032938
5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 56695489
4-bromo-2-[(E)-[[6-(2-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]phenol
CID 135479776
6-N-(2-methylphenyl)-5-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3099893
5-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 6322795
5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4250225
4-[5-[(E)-[[6-(3-chloro-4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 87988590

Frequently Asked Questions

What is the IUPAC name of 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 92847110) is 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2N/N=C\c2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is NQBUJPRIXIZWBX-AFPJDJCSSA-N. The full InChI is InChI=1S/C19H15Cl2N7O/c1-10-3-6-14(7-11(10)2)23-16-17(25-19-18(24-16)27-29-28-19)26-22-9-12-4-5-13(20)8-15(12)21/h3-9H,1-2H3,(H,23,24,27)(H,25,26,28)/b22-9-.
What are the key properties of 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 428.28 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 92847110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).