5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C19H14N8O — CID 137082807

IUPAC5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC(=N/Nc1nc2nonc2nc1Nc1ccccc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N8O/c1-2-6-13(7-3-1)22-16-17(24-19-18(23-16)26-28-27-19)25-21-11-12-10-20-15-9-5-4-8-14(12)15/h1-11,20H,(H,22,23,26)(H,24,25,27)/b21-11+
InChIKeyIMZKSMDZVAMAHU-SRZZPIQSSA-N
MW370.38 g/mol
LogP3.68
Rot. Bonds5

About 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 137082807) has the molecular formula C19H14N8O and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID137082807
Molecular FormulaC19H14N8O
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC(=N/Nc1nc2nonc2nc1Nc1ccccc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N8O/c1-2-6-13(7-3-1)22-16-17(24-19-18(23-16)26-28-27-19)25-21-11-12-10-20-15-9-5-4-8-14(12)15/h1-11,20H,(H,22,23,26)(H,24,25,27)/b21-11+
InChIKeyIMZKSMDZVAMAHU-SRZZPIQSSA-N
XLogP3.68
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.68
H-Bond Donors ≤ 53
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

2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071
2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171147964
3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
CID 135683472
6-N-(3-bromophenyl)-5-N-[(2,5-dibromophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4583723
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 135719318
2-[[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 3099787
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 136690255

Frequently Asked Questions

What is the IUPAC name of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 137082807) is 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C(=N/Nc1nc2nonc2nc1Nc1ccccc1)\c1c[nH]c2ccccc12.
What is the InChIKey of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is IMZKSMDZVAMAHU-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H14N8O/c1-2-6-13(7-3-1)22-16-17(24-19-18(23-16)26-28-27-19)25-21-11-12-10-20-15-9-5-4-8-14(12)15/h1-11,20H,(H,22,23,26)(H,24,25,27)/b21-11+.
What are the key properties of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 370.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 137082807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).