(Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium

C20H30N5O2+ — CID 153428361

IUPAC(Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium
SMILESCc1nc(C)c(COCc2nc(C)c(/C=[N+](\O)C(C)(C)C)nc2C)nc1C
InChIInChI=1S/C20H30N5O2/c1-12-13(2)22-18(15(4)21-12)10-27-11-19-16(5)23-17(14(3)24-19)9-25(26)20(6,7)8/h9,26H,10-11H2,1-8H3/q+1
InChIKeyZKLDVIQYCHNRKR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.14
Rot. Bonds5

About (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium

(Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium (PubChem CID 153428361) has the molecular formula C20H30N5O2+ and a molecular weight of 372.49 g/mol. Its IUPAC name is (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium.

Molecular Properties

Compound Name(Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium
PubChem CID153428361
Molecular FormulaC20H30N5O2+
Molecular Weight372.49 g/mol
Exact Mass372.24
IUPAC Name(Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium
SMILESCc1nc(C)c(COCc2nc(C)c(/C=[N+](\O)C(C)(C)C)nc2C)nc1C
InChIInChI=1S/C20H30N5O2/c1-12-13(2)22-18(15(4)21-12)10-27-11-19-16(5)23-17(14(3)24-19)9-25(26)20(6,7)8/h9,26H,10-11H2,1-8H3/q+1
InChIKeyZKLDVIQYCHNRKR-UHFFFAOYSA-N
XLogP3.14
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazine
CID 56599739
N-tert-butyl-1-[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methanimine oxide
CID 134502762
(Z)-tert-butyl-[[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methylidene]-hydroxyazanium
CID 136953070
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
tert-butyl-[[5-[[5-[(Z)-[tert-butyl(hydroxy)azaniumylidene]methyl]-3,6-dimethylpyrazin-2-yl]methoxymethyl]-3,6-dimethylpyrazin-2-yl]methylidene]-methylazanium
CID 157848794

Frequently Asked Questions

What is the IUPAC name of (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium?
The IUPAC name of (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium (CID 153428361) is (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium.
What is the SMILES notation for (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium?
The canonical SMILES for (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium is Cc1nc(C)c(COCc2nc(C)c(/C=[N+](\O)C(C)(C)C)nc2C)nc1C.
What is the InChIKey of (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium?
The InChIKey is ZKLDVIQYCHNRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N5O2/c1-12-13(2)22-18(15(4)21-12)10-27-11-19-16(5)23-17(14(3)24-19)9-25(26)20(6,7)8/h9,26H,10-11H2,1-8H3/q+1.
What are the key properties of (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium?
(Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium has a molecular weight of 372.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tert-butyl-[[3,6-dimethyl-5-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazin-2-yl]methylidene]-hydroxyazanium is sourced from PubChem (CID 153428361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).