N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide

C24H37N6O3+ — CID 137317151

IUPACN-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
SMILESCc1nc(COCc2nc(C)c(/C=[N+](\O)C(C)(C)C)nc2C)c(C)nc1/C=[N+](\[O-])C(C)(C)C
InChIInChI=1S/C24H37N6O3/c1-15-19(11-29(31)23(5,6)7)25-17(3)21(27-15)13-33-14-22-18(4)26-20(16(2)28-22)12-30(32)24(8,9)10/h11-12,31H,13-14H2,1-10H3/q+1/b30-12-
InChIKeyOZTRQJPBSAMFEY-FTCYSYDXSA-N
MW457.60 g/mol
LogP3.56
Rot. Bonds6

About N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide

N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide (PubChem CID 137317151) has the molecular formula C24H37N6O3+ and a molecular weight of 457.60 g/mol. Its IUPAC name is N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
PubChem CID137317151
Molecular FormulaC24H37N6O3+
Molecular Weight457.60 g/mol
Exact Mass457.29
IUPAC NameN-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
SMILESCc1nc(COCc2nc(C)c(/C=[N+](\O)C(C)(C)C)nc2C)c(C)nc1/C=[N+](\[O-])C(C)(C)C
InChIInChI=1S/C24H37N6O3/c1-15-19(11-29(31)23(5,6)7)25-17(3)21(27-15)13-33-14-22-18(4)26-20(16(2)28-22)12-30(32)24(8,9)10/h11-12,31H,13-14H2,1-10H3/q+1/b30-12-
InChIKeyOZTRQJPBSAMFEY-FTCYSYDXSA-N
XLogP3.56
TPSA110.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
The IUPAC name of N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide (CID 137317151) is N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
The canonical SMILES for N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide is Cc1nc(COCc2nc(C)c(/C=[N+](\O)C(C)(C)C)nc2C)c(C)nc1/C=[N+](\[O-])C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
The InChIKey is OZTRQJPBSAMFEY-FTCYSYDXSA-N. The full InChI is InChI=1S/C24H37N6O3/c1-15-19(11-29(31)23(5,6)7)25-17(3)21(27-15)13-33-14-22-18(4)26-20(16(2)28-22)12-30(32)24(8,9)10/h11-12,31H,13-14H2,1-10H3/q+1/b30-12-.
What are the key properties of N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide has a molecular weight of 457.60 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide is sourced from PubChem (CID 137317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).