manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)

C24H20MnN10O2 — CID 139061947

IUPACmanganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)
SMILESC/C(=N\N=C(/[O-])c1cccnc1)c1cnccn1.C/C(=N\N=C(/[O-])c1cccnc1)c1cnccn1.[Mn+2]
InChIInChI=1S/2C12H11N5O.Mn/c2*1-9(11-8-14-5-6-15-11)16-17-12(18)10-3-2-4-13-7-10;/h2*2-8H,1H3,(H,17,18);/q;;+2/p-2/b2*16-9+;
InChIKeyKIDKLBIRPMABEK-BSGNKXHSSA-L
MW535.43 g/mol
LogP0.80
Rot. Bonds6

About manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)

manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate) (PubChem CID 139061947) has the molecular formula C24H20MnN10O2 and a molecular weight of 535.43 g/mol. Its IUPAC name is manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate).

Molecular Properties

Compound Namemanganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)
PubChem CID139061947
Molecular FormulaC24H20MnN10O2
Molecular Weight535.43 g/mol
Exact Mass535.12
IUPAC Namemanganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)
SMILESC/C(=N\N=C(/[O-])c1cccnc1)c1cnccn1.C/C(=N\N=C(/[O-])c1cccnc1)c1cnccn1.[Mn+2]
InChIInChI=1S/2C12H11N5O.Mn/c2*1-9(11-8-14-5-6-15-11)16-17-12(18)10-3-2-4-13-7-10;/h2*2-8H,1H3,(H,17,18);/q;;+2/p-2/b2*16-9+;
InChIKeyKIDKLBIRPMABEK-BSGNKXHSSA-L
XLogP0.80
TPSA172.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)?
The IUPAC name of manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate) (CID 139061947) is manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate).
What is the SMILES notation for manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)?
The canonical SMILES for manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate) is C/C(=N\N=C(/[O-])c1cccnc1)c1cnccn1.C/C(=N\N=C(/[O-])c1cccnc1)c1cnccn1.[Mn+2].
What is the InChIKey of manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)?
The InChIKey is KIDKLBIRPMABEK-BSGNKXHSSA-L. The full InChI is InChI=1S/2C12H11N5O.Mn/c2*1-9(11-8-14-5-6-15-11)16-17-12(18)10-3-2-4-13-7-10;/h2*2-8H,1H3,(H,17,18);/q;;+2/p-2/b2*16-9+;.
What are the key properties of manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate)?
manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate) has a molecular weight of 535.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis((NE,3Z)-N-(1-pyrazin-2-ylethylidene)pyridine-3-carbohydrazonate) is sourced from PubChem (CID 139061947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).